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Corrigendum to “Peptide backbone-copper ring structure: A molecular insight into copper-induced amyloid toxicity” |
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Room temperature quantum anomalous Hall insulator in honeycomb lattice, RuCS3, with large magnetic anisotropy energy |
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Prediction of LiCrTe2 monolayer as a half-metallic ferromagnet with a high Curie temperature |
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First-principles study of the bandgap renormalization and optical property of β-LiGaO2 |
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Effects of phonon bandgap on phonon-phonon scattering in ultrahigh thermal conductivity θ-phase TaN |
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High-temperature ferromagnetism and strong π-conjugation feature in two-dimensional manganese tetranitride |
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Prediction of one-dimensional CrN nanostructure as a promising ferromagnetic half-metal |
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37501 |
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Li2NiSe2: A new-type intrinsic two-dimensional ferromagnetic semiconductor above 200 K |
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Chin. Phys. B
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Single-layer intrinsic 2H-phase LuX2 (X = Cl, Br, I) with large valley polarization and anomalous valley Hall effect |
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Chin. Phys. B
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Rational design of Fe/Co-based diatomic catalysts for Li-S batteries by first-principles calculations |
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27101 |
Yuan-Shuo Liu(刘元硕), Hao Sun(孙浩), Chun-Sheng Hu(胡春生), Yun-Jing Wu(仵允京), and Chang-Wen Zhang(张昌文) |
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First-principles prediction of quantum anomalous Hall effect in two-dimensional Co2Te lattice |
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Pressure-induced stable structures and physical properties of Sr-Ge system |
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Chin. Phys. B
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128102 |
Yong-Zhe Guo(郭雍哲), Yong-Heng Wang(汪永珩), Kai Huang(黄凯), Hao Yin(尹颢), and En-Lai Gao(高恩来) |
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Extraordinary mechanical performance in charged carbyne |
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127303 |
Yezhu Lv(吕叶竹), Peiji Wang(王培吉), and Changwen Zhang(张昌文) |
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Manipulation of intrinsic quantum anomalous Hall effect in two-dimensional MoYN2CSCl MXene |
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High-temperature nodal ring semimetal in two-dimensional honeycomb-kagome Mn2N3 lattice |
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123102 |
Kan Zhang(张侃), Jiling Li(李继玲), Peitao Liu(刘培涛), Guowei Yang(杨国伟), and Lei Shi(石磊) |
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Nitrogen-tailored quasiparticle energy gaps of polyynes |
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Steady-state and transient electronic transport properties of β-(AlxGa1-x)2O3/Ga2O3 heterostructures: An ensemble Monte Carlo simulation |
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Peptide backbone-copper ring structure: A molecular insight into copper-induced amyloid toxicity |
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Transition metal anchored on C9N4 as a single-atom catalyst for CO2 hydrogenation: A first-principles study |
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106102 |
Jijun Huang(黄及军) and Xueling Lei(雷雪玲) |
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Identification of the phosphorus-doping defect in MgS as a potential qubit |
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106801 |
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First principles study of hafnium intercalation between graphene and Ir(111) substrate |
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97505 |
Ke Xu(徐可), Junsheng Feng(冯俊生), and Hongjun Xiang(向红军) |
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Computational studies on magnetism and ferroelectricity |
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Chin. Phys. B
2022 Vol.31 (9): 97505-097505
[Abstract]
(397)
[HTML 1 KB]
[PDF 2190 KB]
(289)
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83103 |
Duo-Duo Li(李多多) and Song Zhang(张嵩) |
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Effect of conical intersection of benzene on non-adiabatic dynamics |
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Chin. Phys. B
2022 Vol.31 (8): 83103-083103
[Abstract]
(293)
[HTML 0 KB]
[PDF 1804 KB]
(69)
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78402 |
Tonghe Ying(应通和), Jianbao Zhu(朱健保), and Wenguang Zhu(朱文光) |
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Machine learning potential aided structure search for low-lying candidates of Au clusters |
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Chin. Phys. B
2022 Vol.31 (7): 78402-078402
[Abstract]
(401)
[HTML 1 KB]
[PDF 2075 KB]
(138)
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66205 |
Gang Wu(吴刚), Lu Wang(王璐), Kuo Bao(包括), Xianli Li(李贤丽), Sheng Wang(王升), and Chunhong Xu(徐春红) |
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Bandgap evolution of Mg3N2 under pressure: Experimental and theoretical studies |
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Chin. Phys. B
2022 Vol.31 (6): 66205-066205
[Abstract]
(518)
[HTML 1 KB]
[PDF 1125 KB]
(145)
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56302 |
Ruoting Zhao(赵若廷), Bangyu Xing(邢邦昱), Huimin Mu(穆慧敏), Yuhao Fu(付钰豪), and Lijun Zhang(张立军) |
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Evaluation of performance of machine learning methods in mining structure—property data of halide perovskite materials |
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Chin. Phys. B
2022 Vol.31 (5): 56302-056302
[Abstract]
(550)
[HTML 1 KB]
[PDF 1248 KB]
(528)
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57101 |
Zhuo-Cheng Hong(洪卓呈), Pei Yao(姚佩), Yang Liu(刘杨), and Xu Zuo(左旭) |
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First-principles calculations of the hole-induced depassivation of SiO2/Si interface defects |
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Chin. Phys. B
2022 Vol.31 (5): 57101-057101
[Abstract]
(316)
[HTML 1 KB]
[PDF 2302 KB]
(64)
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37104 |
Guoqi Zhao(赵国琪), Jiahao Xie(颉家豪), Kun Zhou(周琨), Bangyu Xing(邢邦昱), Xinjiang Wang(王新江), Fuyu Tian(田伏钰), Xin He(贺欣), and Lijun Zhang(张立军) |
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High-throughput computational material screening of the cycloalkane-based two-dimensional Dion—Jacobson halide perovskites for optoelectronics |
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Chin. Phys. B
2022 Vol.31 (3): 37104-037104
[Abstract]
(578)
[HTML 1 KB]
[PDF 3192 KB]
(271)
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36104 |
Shan Feng(冯山), Ming Jiang(姜明), Qi-Hang Qiu(邱启航), Xiang-Hua Peng(彭祥花), Hai-Yan Xiao(肖海燕), Zi-Jiang Liu(刘子江), Xiao-Tao Zu(祖小涛), and Liang Qiao(乔梁) |
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First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice |
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Chin. Phys. B
2022 Vol.31 (3): 36104-036104
[Abstract]
(346)
[HTML 1 KB]
[PDF 5634 KB]
(184)
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37301 |
Xiuya Su(苏秀崖), Helin Qin(秦河林), Zhongbo Yan(严忠波), Dingyong Zhong(钟定永), and Donghui Guo(郭东辉) |
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Magnetic proximity effect induced spin splitting in two-dimensional antimonene/Fe3GeTe2 van der Waals heterostructures |
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Chin. Phys. B
2022 Vol.31 (3): 37301-037301
[Abstract]
(491)
[HTML 1 KB]
[PDF 5666 KB]
(305)
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27803 |
Simei Sun(孙四梅), Song Zhang(张嵩), Jiao Song(宋娇), Xiaoshan Guo(郭小珊), Chao Jiang(江超), Jingyu Sun(孙静俞), and Saiyu Wang(王赛玉) |
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Ultrafast proton transfer dynamics of 2-(2'-hydroxyphenyl)benzoxazole dye in different solvents |
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Chin. Phys. B
2022 Vol.31 (2): 27803-027803
[Abstract]
(382)
[HTML 0 KB]
[PDF 1222 KB]
(46)
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26104 |
Xin-Chao Yang(杨鑫超), Qun Wei(魏群), Mei-Guang Zhang(张美光), Ming-Wei Hu(胡明玮), Lin-Qian Li(李林茜), and Xuan-Min Zhu(朱轩民) |
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A new direct band gap silicon allotrope o-Si32 |
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Chin. Phys. B
2022 Vol.31 (2): 26104-026104
[Abstract]
(363)
[HTML 0 KB]
[PDF 2108 KB]
(35)
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26102 |
Hao Wang(王皓), Yaru Yin(殷亚茹), Xiong Yang(杨雄), Yanrui Guo(郭艳蕊), Ying Zhang(张颖), Huiyu Yan(严慧羽), Ying Wang(王莹), and Ping Huai(怀平) |
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First-principles study of two new boron nitride structures: C12-BN and O16-BN |
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Chin. Phys. B
2022 Vol.31 (2): 26102-026102
[Abstract]
(426)
[HTML 0 KB]
[PDF 1937 KB]
(98)
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17103 |
Ling Li(李玲) and Wan-Jian Yin(尹万健) |
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Defect calculations with quasiparticle correction: A revisited study of iodine defects in CH3NH3PbI3 |
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Chin. Phys. B
2022 Vol.31 (1): 17103-017103
[Abstract]
(517)
[HTML 1 KB]
[PDF 4326 KB]
(392)
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17104 |
Huihui He(何慧卉) and Shenyuan Yang(杨身园) |
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First-principles study on improvement of two-dimensional hole gas concentration and confinement in AlN/GaN superlattices |
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Chin. Phys. B
2022 Vol.31 (1): 17104-017104
[Abstract]
(396)
[HTML 0 KB]
[PDF 728 KB]
(82)
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117107 |
Mavlanjan Rahman(买吾兰江·热合曼) and Jiuyang He(何久洋) |
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First-principles study of electronic structure and magnetic properties of Sr3Fe2O5 oxide |
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Chin. Phys. B
2021 Vol.30 (11): 117107-117107
[Abstract]
(471)
[HTML 0 KB]
[PDF 1229 KB]
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117105 |
Qing Zhan(詹庆), Xiaoguang Luo(罗小光), Hao Zhang(张皓), Zhenxiao Zhang(张振霄), Dongdong Liu(刘冬冬), and Yingchun Cheng(程迎春) |
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Carrier and magnetism engineering for monolayer SnS2 by high throughput first-principles calculations |
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Chin. Phys. B
2021 Vol.30 (11): 117105-117105
[Abstract]
(466)
[HTML 0 KB]
[PDF 1152 KB]
(249)
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107102 |
Qianpeng Wang(王乾鹏), Daye Zheng(郑大也), Lixin He(何力新), and Xinguo Ren(任新国) |
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Peculiar diffusion behavior of AlCl4 intercalated in graphite from nanosecond-long molecular dynamics simulations |
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Chin. Phys. B
2021 Vol.30 (10): 107102-107102
[Abstract]
(361)
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[PDF 888 KB]
(188)
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103101 |
Yajing Zhang(张亚婧), Keke Song(宋可可), Shuo Cao(曹硕), Xiaodong Jian(建晓东), and Ping Qian(钱萍) |
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Density functional theory study of formaldehyde adsorption and decomposition on Co-doped defective CeO2 (110) surface |
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Chin. Phys. B
2021 Vol.30 (10): 103101-103101
[Abstract]
(423)
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[PDF 1867 KB]
(106)
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107703 |
Zhongzhe Liu(刘钟喆), Libin Gao(高莉彬), Kexin Liang(梁可欣), Zhen Fang(方针), Hongwei Chen(陈宏伟), and Jihua Zhang(张继华) |
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Effect of external electric field on crystalline structure anddielectric properties of Bi1.5MgNb1.5O7 thin films |
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Chin. Phys. B
2021 Vol.30 (10): 107703-107703
[Abstract]
(316)
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[PDF 1545 KB]
(52)
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106807 |
Lei Gao(高蕾), Yan-Fang Zhang(张艳芳), Jia-Tao Sun(孙家涛), and Shixuan Du(杜世萱) |
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Band engineering of honeycomb monolayer CuSe via atomic modification |
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Chin. Phys. B
2021 Vol.30 (10): 106807-106807
[Abstract]
(366)
[HTML 1 KB]
[PDF 1366 KB]
(130)
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97101 |
Xue-Hua Liu(刘雪华), Wei-Feng Xie(谢伟锋), Yang Liu(刘杨), and Xu Zuo(左旭) |
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Passivation and dissociation of Pb-type defects at a-SiO2/Si interface |
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Chin. Phys. B
2021 Vol.30 (9): 97101-097101
[Abstract]
(459)
[HTML 1 KB]
[PDF 1880 KB]
(182)
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83103 |
Guijiang Li(李贵江), Enke Liu(刘恩克), Guodong Liu(刘国栋), Wenhong Wang(王文洪), and Guangheng Wu(吴光恒) |
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Density functional theory investigation on lattice dynamics, elastic properties and origin of vanished magnetism in Heusler compounds CoMnVZ (Z= Al, Ga) |
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Chin. Phys. B
2021 Vol.30 (8): 83103-083103
[Abstract]
(856)
[HTML 1 KB]
[PDF 1511 KB]
(699)
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87307 |
Jianbao Zhu(朱健保), Wei Qin(秦维), and Wenguang Zhu(朱文光) |
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Giant Rashba-like spin-orbit splitting with distinct spin texture in two-dimensional heterostructures |
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Chin. Phys. B
2021 Vol.30 (8): 87307-087307
[Abstract]
(651)
[HTML 1 KB]
[PDF 2029 KB]
(275)
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88201 |
Xin Wang(王鑫), Bojun Wang(汪博筠), Jiachao Yang(杨家超), Qiwen Ran(冉淇文), Jian Zou(邹剑), Pengyu Chen(陈鹏宇), Li Li(李莉), Liping Wang(王丽平), and Xiaobin Niu(牛晓滨) |
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In situ formed FeS2@CoS cathode for long cycling life lithium-ion battery |
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Chin. Phys. B
2021 Vol.30 (8): 88201-088201
[Abstract]
(486)
[HTML 1 KB]
[PDF 2976 KB]
(167)
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83101 |
Hao-Ran Zhu(祝浩然), Jia-Liang Chen(陈嘉亮), and Shi-Hao Wei(韦世豪) |
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Single boron atom anchored on graphitic carbon nitride nanosheet (B/g-C2N) as a photocatalyst for nitrogen fixation: A first-principles study |
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Chin. Phys. B
2021 Vol.30 (8): 83101-083101
[Abstract]
(366)
[HTML 1 KB]
[PDF 2936 KB]
(47)
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76401 |
Min Wu(吴旻), Ye-Feng Wu(吴烨峰), and Yi Ma(马毅) |
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Anomalous bond-length behaviors of solid halogens under pressure |
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Chin. Phys. B
2021 Vol.30 (7): 76401-076401
[Abstract]
(522)
[HTML 1 KB]
[PDF 4332 KB]
(125)
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76301 |
Ru-Yi Zhao(赵如意), Xun-Wang Yan(闫循旺), and Miao Gao(高淼) |
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Inverted V-shaped evolution of superconducting temperature in SrBC under pressure |
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Chin. Phys. B
2021 Vol.30 (7): 76301-076301
[Abstract]
(472)
[HTML 1 KB]
[PDF 4161 KB]
(260)
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76105 |
Chao Jin(金超), Feng-Zhu Ren(任凤竹), Wei Sun(孙伟), Jing-Yu Li(李静玉), Bing Wang(王冰), and Qin-Fen Gu(顾勤奋) |
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Magnetoelectric coupling effect of polarization regulation in BiFeO3/LaTiO3 heterostructures |
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Chin. Phys. B
2021 Vol.30 (7): 76105-076105
[Abstract]
(380)
[HTML 1 KB]
[PDF 3241 KB]
(91)
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77405 |
Wei Zhang(张伟), Xiao-Qiang Zhang(张晓强), Lei Liu(刘蕾), Zhao-Qi Wang(王朝棋), and Zhi-Guo Li(李治国) |
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Two-dimensional square-Au2S monolayer: A promising thermoelectric material with ultralow lattice thermal conductivity and high power factor |
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Chin. Phys. B
2021 Vol.30 (7): 77405-077405
[Abstract]
(504)
[HTML 1 KB]
[PDF 2277 KB]
(117)
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76801 |
Zhao-Yong Jiao(焦照勇), Yi-Ran Wang(王怡然), Yong-Liang Guo(郭永亮), and Shu-Hong Ma(马淑红) |
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Strain-tunable electronic and optical properties of h-BN/BC3 heterostructure with enhanced electron mobility |
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Chin. Phys. B
2021 Vol.30 (7): 76801-076801
[Abstract]
(389)
[HTML 1 KB]
[PDF 2163 KB]
(40)
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73101 |
Hui Wan(万惠), Zhixiao Liu(刘智骁), Guangdong Liu(刘广东), Shuaiyu Yi(易帅玉), Fei Gao(高飞), Huiqiu Deng(邓辉球), Dingwang Yuan(袁定旺), and Wangyu Hu(胡望宇) |
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A strategy to improve the electrochemical performance of Ni-rich positive electrodes: Na/F-co-doped LiNi0.6Mn0.2Co0.2O2 |
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Chin. Phys. B
2021 Vol.30 (7): 73101-073101
[Abstract]
(440)
[HTML 1 KB]
[PDF 1882 KB]
(166)
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77102 |
Yuxiang Gao(高于翔), Xin Jin(金鑫), Yixuan Gao(高艺璇), Yu-Yang Zhang(张余洋), and Shixuan Du(杜世萱) |
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Electronic structures of vacancies in Co3Sn2S2 |
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Chin. Phys. B
2021 Vol.30 (7): 77102-077102
[Abstract]
(413)
[HTML 1 KB]
[PDF 1956 KB]
(210)
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76107 |
Bin-Hua Chu(初斌华) and Yuan Zhao(赵元) |
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Prediction of scandium tetraboride from first-principles calculations: Crystal structures, phase stability, mechanical properties,and hardness |
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Chin. Phys. B
2021 Vol.30 (7): 76107-076107
[Abstract]
(510)
[HTML 1 KB]
[PDF 1562 KB]
(134)
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67104 |
Xu Liu(刘旭), Jun-Chao Huang(黄俊超), and Xiang-Mei Duan(段香梅) |
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Cobalt anchored CN sheet boosts the performance of electrochemical CO oxidation |
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Chin. Phys. B
2021 Vol.30 (6): 67104-067104
[Abstract]
(382)
[HTML 0 KB]
[PDF 3877 KB]
(68)
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57304 |
Feng Lu(卢峰), Jintao Cui(崔锦韬), Pan Liu(刘盼), Meichen Lin(林玫辰), Yahui Cheng(程雅慧), Hui Liu(刘晖), Weichao Wang(王卫超), Kyeongjae Cho, and Wei-Hua Wang(王维华) |
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High-throughput identification of one-dimensional atomic wires and first principles calculations of their electronic states |
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Chin. Phys. B
2021 Vol.30 (5): 57304-057304
[Abstract]
(793)
[HTML 1 KB]
[PDF 910 KB]
(556)
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57101 |
Bo Chen(陈波), Xiang-Qian Li(李向前), Lin Xue(薛林), Yan Han(韩燕), Zhi Yang(杨致), and Long-Long Zhang(张龙龙) |
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First-principles investigation of the valley and electrical properties of carbon-doped α-graphyne-like BN sheet |
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Chin. Phys. B
2021 Vol.30 (5): 57101-057101
[Abstract]
(522)
[HTML 1 KB]
[PDF 2093 KB]
(210)
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56501 |
Mingyue Zhang(张明月), Chunyan Wang(王春艳), Yinuo Zhang(张一诺), Qilong Gao(高其龙), and Yu Jia(贾瑜) |
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Negative thermal expansion in NbF3 and NbOF2: A comparative theoretical study |
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Chin. Phys. B
2021 Vol.30 (5): 56501-056501
[Abstract]
(463)
[HTML 1 KB]
[PDF 3813 KB]
(233)
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47501 |
Yan-Wen Zhang(张岩文), Gui-Xian Ge(葛桂贤), Hai-Bin Sun(孙海斌), Jue-Ming Yang(杨觉明), Hong-Xia Yan(闫红霞), Long Zhou(周龙), Jian-Guo Wan(万建国), and Guang-Hou Wang(王广厚) |
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Magnetic anisotropy in 5d transition metal-porphyrin molecules |
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Chin. Phys. B
2021 Vol.30 (4): 47501-
[Abstract]
(405)
[HTML 1 KB]
[PDF 1974 KB]
(53)
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47104 |
Xin Gao(高鑫), Yunliang Yue(乐云亮), Yang Liu(刘杨), and Xu Zuo(左旭) |
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First-principles calculations of F-, Cl-, and N-related defects of amorphous SiO 2 and their impacts on carrier trapping and proton release |
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Chin. Phys. B
2021 Vol.30 (4): 47104-
[Abstract]
(348)
[HTML 1 KB]
[PDF 1400 KB]
(131)
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47101 |
Wei Hu(胡伟), Ying Tian(田颖), Hong-Tao Xue(薛红涛), Wen-Sheng Li(李文生), and Fu-Ling Tang(汤富领) |
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Passivation of PEA+ to MAPbI3 (110) surface states by first-principles calculations |
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Chin. Phys. B
2021 Vol.30 (4): 47101-
[Abstract]
(380)
[HTML 1 KB]
[PDF 910 KB]
(51)
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46802 |
Yan-Mei Jing(荆艳梅) and Shao-Song Huang(黄绍松) |
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First principles study of behavior of helium at Fe(110)-graphene interface |
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Chin. Phys. B
2021 Vol.30 (4): 46802-
[Abstract]
(433)
[HTML 1 KB]
[PDF 1010 KB]
(34)
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46302 |
Junping Hu(胡军平), Zhangyin Wang(王章寅), Genrui Zhang(张根瑞), Yu Liu(刘宇), Ning Liu(刘宁), Wei Li(李未), Jianwen Li(李健文), Chuying Ouyang(欧阳楚英), and Shengyuan A. Yang(杨声远) |
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Two-dimensional MnN utilized as high-capacity anode for Li-ion batteries |
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Chin. Phys. B
2021 Vol.30 (4): 46302-
[Abstract]
(609)
[HTML 1 KB]
[PDF 1351 KB]
(346)
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33102 |
Amjad Ali, G Shabbir Naz, Rukhsana Kouser, Ghazala Tasneem, M Saleem Shahzad, Aman-ur-Rehman, and M H Nasim |
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Effect of radiation on compressibility of hot dense sodium and iron plasma using improved screened hydrogenic model with l splitting |
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Chin. Phys. B
2021 Vol.30 (3): 33102-
[Abstract]
(283)
[HTML 1 KB]
[PDF 4322 KB]
(60)
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38102 |
J H Lei(雷军辉), Q Tang(汤琼), J He(何军), and M Q Cai(蔡孟秋) |
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Stability and optoelectronic property of low-dimensional organic tin bromide perovskites |
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Chin. Phys. B
2021 Vol.30 (3): 38102-
[Abstract]
(403)
[HTML 1 KB]
[PDF 624 KB]
(68)
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33101 |
Xiyuan Sun(孙希媛), Pengfei Yin(殷鹏飞), Kaiming Wang(王开明), and Gang Jiang(蒋刚) |
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CCSD(T) study on the structures and chemical bonds of AnO molecules (An=Bk-Lr) |
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Chin. Phys. B
2021 Vol.30 (3): 33101-
[Abstract]
(394)
[HTML 1 KB]
[PDF 789 KB]
(35)
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27305 |
Shuai Yang(杨帅), Zhiyong Wang(王志勇), Xueqiong Dai(戴学琼), Jianrong Xiao(肖剑荣), and Mengqiu Long(龙孟秋) |
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A first-principles study on zigzag phosphorene nanoribbons terminated by transition metal atoms |
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Chin. Phys. B
2021 Vol.30 (2): 27305-0
[Abstract]
(438)
[HTML 1 KB]
[PDF 662 KB]
(156)
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27101 |
Tao Huang(黄韬), Yuan Si(思源), Hong-Yu Wu(吴宏宇), Li-Xin Xia(夏立新), Yu Lan(蓝郁), Wei-Qing Huang(黄维清), Wang-Yu Hu(胡望宇), and Gui-Fang Huang(黄桂芳) |
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Strain and interfacial engineering to accelerate hydrogen evolution reaction of two-dimensional phosphorus carbide |
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Chin. Phys. B
2021 Vol.30 (2): 27101-0
[Abstract]
(385)
[HTML 1 KB]
[PDF 3057 KB]
(79)
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17102 |
Chun-Ying Pu(濮春英), Rong-Mei Yu(于荣梅), Ting Wang(王婷), Zhen-Yan X\"ue(薛振彦), Yong-Sheng Zhu(朱永胜), and Da-Wei Zhou(周大伟) |
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Structure prediction, electronic, and mechanical properties of alkali metal MB12 ( M= Be, Mg, Ca, Sr) from first principles |
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Chin. Phys. B
2021 Vol.30 (1): 17102-
[Abstract]
(393)
[HTML 1 KB]
[PDF 1422 KB]
(167)
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16403 |
Minru Wen(文敏儒), Xing Xie(谢兴), Zhixun Xie(谢植勋), Huafeng Dong(董华锋), Xin Zhang(张欣), Fugen Wu(吴福根), and Chong-Yu Wang(王崇愚) |
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Novel structures and mechanical properties of Zr2N: Ab initio description under high pressures |
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Chin. Phys. B
2021 Vol.30 (1): 16403-
[Abstract]
(386)
[HTML 1 KB]
[PDF 1847 KB]
(83)
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10101 |
Chun-Feng Zhang(章春锋), Wei Wang(汪伟), Si-Guang An(安斯光), and Nan-Ying Shentu(申屠南瑛) |
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Two-dimensional finite element mesh generation algorithm for electromagnetic field calculation |
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|
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Chin. Phys. B
2021 Vol.30 (1): 10101-
[Abstract]
(436)
[HTML 1 KB]
[PDF 1264 KB]
(113)
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16402 |
Xiaoyu Wang(王啸宇), Xue Wang(王雪), Hongshuai Zou(邹洪帅), Yuhao Fu(付钰豪), Xin He(贺欣), and Lijun Zhang(张立军) |
| |
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Temperature-induced phase transition of two-dimensional semiconductor GaTe |
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|
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Chin. Phys. B
2021 Vol.30 (1): 16402-
[Abstract]
(424)
[HTML 1 KB]
[PDF 3175 KB]
(222)
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16101 |
Yong-Liang Guo(郭永亮), Jun-Hong Wei(韦俊红), Xiao Liu(刘潇), Xue-Zhi Ke(柯学志), and Zhao-Yong Jiao(焦照勇) |
| |
|
Ab initio study on crystal structure and phase stability of ZrC2 under high pressure |
| |
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Chin. Phys. B
2021 Vol.30 (1): 16101-
[Abstract]
(406)
[HTML 1 KB]
[PDF 2400 KB]
(115)
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126301 |
Ti-Kang Shu(束体康), Rui-Xia Miao(苗瑞霞), San-Dong Guo(郭三栋), Shao-Qing Wang(王少青), Chen-He Zhao(赵晨鹤), and Xue-Lan Zhang(张雪兰) |
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Electronic structure and optical properties of Ge-and F-doped α -Ga2O3: First-principles investigations |
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Chin. Phys. B
2020 Vol.29 (12): 126301-
[Abstract]
(510)
[HTML 1 KB]
[PDF 971 KB]
(183)
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126501 |
Weiqiang Wang(王巍强), Zhenhong Dai(戴振宏), Qi Zhong(钟琦), Yinchang Zhao(赵银昌), and Sheng Meng(孟胜) |
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|
Low lattice thermal conductivity and high figure of merit in p-type doped K3IO |
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Chin. Phys. B
2020 Vol.29 (12): 126501-
[Abstract]
(379)
[HTML 1 KB]
[PDF 977 KB]
(45)
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108103 |
Qian-Xing Chen(陈前行), Hao Yang(杨浩), and Gang Chen(陈刚)† |
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Theoretical studies on alloying of germanene supported on Al (111) substrate |
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Chin. Phys. B
2020 Vol.29 (10): 108103-
[Abstract]
(808)
[HTML 1 KB]
[PDF 16219 KB]
(88)
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97102 |
Long Lin(林龙), Yi-Peng Guo(郭义鹏), Chao-Zheng He(何朝政), Hua-Long Tao(陶华龙), Jing-Tao Huang(黄敬涛), Wei-Yang Yu(余伟阳), Rui-Xin Chen(陈瑞欣), Meng-Si Lou(娄梦思), Long-Bin Yan(闫龙斌) |
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First-principles study of magnetism of 3d transition metals and nitrogen co-doped monolayer MoS2 |
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Chin. Phys. B
2020 Vol.29 (9): 97102-097102
[Abstract]
(581)
[HTML 0 KB]
[PDF 1403 KB]
(93)
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96101 |
Chuanxi Zhu(朱传喜), Tao Yu(于涛) |
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Effects of Re, Ta, and W in [110] (001) dislocation core of γ/γ' interface to Ni-based superalloys: First-principles study |
| |
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Chin. Phys. B
2020 Vol.29 (9): 96101-096101
[Abstract]
(724)
[HTML 0 KB]
[PDF 1170 KB]
(101)
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93601 |
Hui Wang(王翚), Ze-Yu Zhang(张泽宇), Xiao-Wu Cai(蔡小五), Zi-Han Liu(刘子晗), Yong-Xiang Zhang(张永翔), Zhen-Long Lv(吕珍龙), Wei-Wei Ju(琚伟伟), Hui-Hui Liu(刘汇慧), Tong-Wei Li(李同伟), Gang Liu(刘钢), Hai-Sheng Li(李海生), Hai-Tao Yan(闫海涛), Min Feng(冯敏) |
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Raman and infrared spectra of complex low energy tetrahedral carbon allotropes from first-principles calculations |
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Chin. Phys. B
2020 Vol.29 (9): 93601-093601
[Abstract]
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[HTML 0 KB]
[PDF 2142 KB]
(82)
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96301 |
Wenyu Fang(方文玉), Wenbin Kang(康文斌), Jun Zhao(赵军), Pengcheng Zhang(张鹏程) |
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Surface-regulated triangular borophene as Dirac-like materials from density functional calculation investigation |
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Chin. Phys. B
2020 Vol.29 (9): 96301-096301
[Abstract]
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[HTML 0 KB]
[PDF 1142 KB]
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87103 |
Yurou Guan(官雨柔), Lingling Song(宋玲玲), Hui Zhao(赵慧), Renjun Du(杜仁君), Liming Liu(刘力铭), Cuixia Yan(闫翠霞), Jinming Cai(蔡金明) |
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Two-dimensional hexagonal Zn3Si2 monolayer: Dirac cone material and Dirac half-metallic manipulation |
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Chin. Phys. B
2020 Vol.29 (8): 87103-087103
[Abstract]
(568)
[HTML 0 KB]
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(142)
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83101 |
Endong Wang(王恩栋), Beien Zhu(朱倍恩), Yi Gao(高嶷) |
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Discontinuous transition between Zundel and Eigen for H5O2+ |
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Chin. Phys. B
2020 Vol.29 (8): 83101-083101
[Abstract]
(692)
[HTML 0 KB]
[PDF 1328 KB]
(141)
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86401 |
Lun Xiong(熊伦), Qiang Li(李强), Cheng-Fu Yang(杨成福), Qing-Shuang Xie(谢清爽), Jun-Ran Zhang(张俊然) |
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A high-pressure study of Cr3C2 by XRD and DFT |
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Chin. Phys. B
2020 Vol.29 (8): 86401-086401
[Abstract]
(588)
[HTML 0 KB]
[PDF 1286 KB]
(96)
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87202 |
Y Y Wu(伍义远), X L Zhu(朱雪良), H Y Yang(杨恒玉), Z G Wang(王志光), Y H Li(李玉红), B T Wang(王保田) |
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|
First principles calculations on the thermoelectric properties of bulk Au2S with ultra-low lattice thermal conductivity |
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Chin. Phys. B
2020 Vol.29 (8): 87202-087202
[Abstract]
(775)
[HTML 0 KB]
[PDF 3634 KB]
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76201 |
Peng Wang(王鹏), Ning-Chao Zhang(张宁超), Cheng-Lu Jiang(蒋城露), Fu-Sheng Liu(刘福生), Zheng-Tang Liu(刘正堂), Qi-Jun Liu(刘其军) |
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Structural, mechanical, and electronic properties of Zr-Te compounds from first-principles calculations |
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Chin. Phys. B
2020 Vol.29 (7): 76201-076201
[Abstract]
(550)
[HTML 0 KB]
[PDF 1463 KB]
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76102 |
Xing-Yi Tan(谭兴毅), Li-Li Liu(刘利利), Da-Hua Ren(任达华) |
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Tunable electronic structures of germanane/antimonene van der Waals heterostructures using an external electric field and normal strain |
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Chin. Phys. B
2020 Vol.29 (7): 76102-076102
[Abstract]
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[HTML 0 KB]
[PDF 5238 KB]
(103)
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73401 |
Ya Peng(彭亚), Zhong-An Jiang(蒋仲安), Ju-Shi Chen(陈举师) |
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Surface for methane combustion: O(3P)+CH4→OH+CH3 |
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Chin. Phys. B
2020 Vol.29 (7): 73401-073401
[Abstract]
(449)
[HTML 0 KB]
[PDF 1570 KB]
(91)
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77508 |
Ben-Chao Gong(龚本超), Huan-Cheng Yang(杨焕成), Kui Jin(金魁), Kai Liu(刘凯), Zhong-Yi Lu(卢仲毅) |
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Degenerate antiferromagnetic states in spinel oxide LiV2O4 |
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Chin. Phys. B
2020 Vol.29 (7): 77508-077508
[Abstract]
(639)
[HTML 0 KB]
[PDF 1306 KB]
(194)
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67702 |
Ting Wang(王挺), Yan-Chen Fan(樊晏辰), Jie Xing(邢洁), Ze Xu(徐泽), Geng Li(李庚), Ke Wang(王轲), Jia-Gang Wu(吴家刚), Jian-Guo Zhu(朱建国) |
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First-principles calculation of influences of La-doping on electronic structures of KNN lead-free ceramics |
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Chin. Phys. B
2020 Vol.29 (6): 67702-067702
[Abstract]
(582)
[HTML 1 KB]
[PDF 614 KB]
(183)
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67201 |
Yang Wang(王杨), Xin Zhang(张忻), Yan-Qin Liu(刘燕琴), Jiu-Xing Zhang(张久兴), Ming Yue(岳明) |
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Significant role of nanoscale Bi-rich phase in optimizing thermoelectric performance of Mg3Sb2 |
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Chin. Phys. B
2020 Vol.29 (6): 67201-067201
[Abstract]
(628)
[HTML 1 KB]
[PDF 933 KB]
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66103 |
Sha-Sha Zhang(张莎莎), Zheng-Jun Yao(姚正军), Xiang-Shan Kong(孔祥山), Liang Chen(陈良), Jing-Yu Qin(秦敬玉) |
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First-principles calculations of solute-vacancy interactions in aluminum |
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Chin. Phys. B
2020 Vol.29 (6): 66103-066103
[Abstract]
(644)
[HTML 1 KB]
[PDF 1360 KB]
(134)
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58104 |
Bao Lei(雷宝), Yu-Yang Zhang(张余洋), Shi-Xuan Du(杜世萱) |
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Prediction of structured void-containing 1T-PtTe2 monolayer with potential catalytic activity for hydrogen evolution reaction |
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Chin. Phys. B
2020 Vol.29 (5): 58104-058104
[Abstract]
(531)
[HTML 1 KB]
[PDF 796 KB]
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43103 |
Dianwu Wang(王殿武), Chongyu Wang(王崇愚), Tao Yu(于涛), Wenqing Liu(刘文庆) |
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Re effects in model Ni-based superalloys investigated with first-principles calculations and atom probe tomography |
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Chin. Phys. B
2020 Vol.29 (4): 43103-043103
[Abstract]
(599)
[HTML 1 KB]
[PDF 7795 KB]
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43102 |
Hang Yang(杨航), Meng-Shan Wu(吴孟山), Yi Zhang(张屹), Ting-Yun Shi(史庭云), Kalman Varga, Jun-Yi Zhang(张俊义) |
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Non-Born-Oppenheimer study of the muonic molecule ion 4Heμ+ |
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Chin. Phys. B
2020 Vol.29 (4): 43102-043102
[Abstract]
(712)
[HTML 1 KB]
[PDF 922 KB]
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47103 |
Bao-Hua Zhou(周保花), Fu-Jie Zhang(张福杰), Xiao Liu(刘笑), Yu Song(宋宇), Xu Zuo(左旭) |
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Ab initio calculations on oxygen vacancy defects in strained amorphous silica |
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Chin. Phys. B
2020 Vol.29 (4): 47103-047103
[Abstract]
(560)
[HTML 1 KB]
[PDF 1672 KB]
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38202 |
Yu-Qi Wang(王宇琦), Xiao-Rui Sun(孙晓瑞), Rui-Juan Xiao(肖睿娟), Li-Quan Chen(陈立泉) |
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Computational screening of doping schemes for LiTi2(PO4)3 as cathode coating materials |
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Chin. Phys. B
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[Abstract]
(711)
[HTML 1 KB]
[PDF 1030 KB]
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37101 |
D S Wu(吴德胜), Y T Qian(钱玉婷), Z Y Liu(刘子懿), W Wu(吴伟), Y J Li(李延杰), S H Na(那世航), Y T Shao(邵钰婷), P Zheng(郑萍), G Li(李岗), J G Cheng(程金光), H M Weng(翁红明), J L Luo(雒建林) |
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Single crystal growth, structural and transport properties of bad metal RhSb2 |
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Chin. Phys. B
2020 Vol.29 (3): 37101-037101
[Abstract]
(970)
[HTML 1 KB]
[PDF 1974 KB]
(424)
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36201 |
Chun-Yao Zhang(张春尧), Fu-Yang Tian(田付阳), Xiao-Dong Ni(倪晓东) |
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First-principles investigation on ideal strength of B2 NiAl and NiTi alloys |
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Chin. Phys. B
2020 Vol.29 (3): 36201-036201
[Abstract]
(612)
[HTML 1 KB]
[PDF 2090 KB]
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38504 |
Xuan-Zhang Li(李炫璋), Ling Sun(孙令), Jin-Lei Lu(鲁金蕾), Jie Liu(刘洁), Chen Yue(岳琛), Li-Li Xie(谢莉莉), Wen-Xin Wang(王文新), Hong Chen(陈弘), Hai-Qiang Jia(贾海强), Lu Wang(王禄) |
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A method to extend wavelength into middle-wavelength infrared based on InAsSb/(Al)GaSb interband transition quantum well infrared photodetector |
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Chin. Phys. B
2020 Vol.29 (3): 38504-038504
[Abstract]
(799)
[HTML 1 KB]
[PDF 494 KB]
(194)
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28803 |
Xiaowei Jiang(江小蔚), Wan-Jian Yin(尹万健) |
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Designing solar-cell absorber materials through computational high-throughput screening |
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Chin. Phys. B
2020 Vol.29 (2): 28803-028803
[Abstract]
(798)
[HTML 1 KB]
[PDF 4510 KB]
(554)
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28801 |
Xin-Yan Li(李欣岩), Su-Ting Weng(翁素婷), Lin Gu(谷林) |
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Advanced characterization and calculation methods for rechargeable battery materials in multiple scales |
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Chin. Phys. B
2020 Vol.29 (2): 28801-028801
[Abstract]
(128)
[HTML 1 KB]
[PDF 5049 KB]
(334)
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107101 |
Jing Liu(刘婧), Ya-Qiang Ma(马亚强), Ya-Wei Dai(戴雅薇), Yang Chen(陈炀), Yi Li(李依), Ya-Nan Tang(唐亚楠), Xian-Qi Dai(戴宪起) |
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Electronic properties of size-dependent MoTe2/WTe2 heterostructure |
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Chin. Phys. B
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[Abstract]
(641)
[HTML 1 KB]
[PDF 21948 KB]
(259)
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86104 |
Dahua Ren(任达华), Xingyi Tan(谭兴毅), Teng Zhang(张腾), Yuan Zhang(张源) |
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Electronic and optical properties of GaN-MoS2 heterostructure from first-principles calculations |
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Chin. Phys. B
2019 Vol.28 (8): 86104-086104
[Abstract]
(663)
[HTML 1 KB]
[PDF 901 KB]
(281)
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78106 |
Hong-Ping Yang(杨宏平), Wen-Juan Yuan(原文娟), Jun Luo(罗俊), Jing Zhu(朱静) |
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Modulation of magnetic and electrical properties of bilayer graphene quantum dots using rotational stacking faults |
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Chin. Phys. B
2019 Vol.28 (7): 78106-078106
[Abstract]
(504)
[HTML 1 KB]
[PDF 4181 KB]
(285)
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46803 |
Bao Lei(雷宝), Yu-Yang Zhang(张余洋), Shi-Xuan Du(杜世萱) |
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Band engineering of B2H2 nanoribbons |
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Chin. Phys. B
2019 Vol.28 (4): 46803-046803
[Abstract]
(678)
[HTML 1 KB]
[PDF 1577 KB]
(258)
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47101 |
Fu-Ning Wang(王芙凝), Ji-Chao Li(李吉超), Yi Li(李宜), Xin-Miao Zhang(张鑫淼), Xue-Jin Wang(王学晋), Yu-Fei Chen(陈宇飞), Jian Liu(刘剑), Chun-Lei Wang(王春雷), Ming-Lei Zhao(赵明磊), Liang-Mo Mei(梅良模) |
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Prediction of high-mobility two-dimensional electron gas at KTaO3-based heterointerfaces |
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Chin. Phys. B
2019 Vol.28 (4): 47101-047101
[Abstract]
(598)
[HTML 1 KB]
[PDF 999 KB]
(161)
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46301 |
Ning-Ning Zhang(张宁宁), Yu-Juan Zhang(张玉娟), Yu Yang(杨宇), Ping Zhang(张平), Chang-Chun Ge(葛昌纯) |
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First-principles study of structural, mechanical, and electronic properties of W alloying with Zr |
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Chin. Phys. B
2019 Vol.28 (4): 46301-046301
[Abstract]
(922)
[HTML 1 KB]
[PDF 563 KB]
(334)
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37301 |
Xin He(贺欣), Ji-Biao Li(李佶彪) |
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Hydrogenated antimonene as quantum spin Hall insulator: A first-principles study |
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Chin. Phys. B
2019 Vol.28 (3): 37301-037301
[Abstract]
(680)
[HTML 1 KB]
[PDF 1207 KB]
(170)
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37101 |
Lingling Song(宋玲玲), Lizhi Zhang(张礼智), Yurou Guan(官雨柔), Jianchen Lu(卢建臣), Cuixia Yan(闫翠霞), Jinming Cai(蔡金明) |
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Graphene-like Be3X2 (X=C, Si, Ge, Sn): A new family of two-dimensional topological insulators |
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Chin. Phys. B
2019 Vol.28 (3): 37101-037101
[Abstract]
(1104)
[HTML 1 KB]
[PDF 1748 KB]
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15201 |
Yuan-Yang Chen(陈远洋), Xiao-Hua Bao(鲍晓华), Peng Fu(傅鹏), Ge Gao(高格) |
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Plasma shape optimization for EAST tokamak using orthogonal method |
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Chin. Phys. B
2019 Vol.28 (1): 15201-015201
[Abstract]
(786)
[HTML 1 KB]
[PDF 2611 KB]
(195)
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17107 |
Xi-Long Dou(豆喜龙), Xiao-Yu Kuang(邝小渝), Xin-Xin Xia(夏欣欣), Meng Ju(巨濛) |
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Exploration of the structural and optical properties of a red-emitting phosphor K2TiF6:Mn4+ |
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Chin. Phys. B
2019 Vol.28 (1): 17107-017107
[Abstract]
(508)
[HTML 1 KB]
[PDF 1445 KB]
(392)
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126201 |
Shanyu Quan(权善玉), Xudong Zhang(张旭东), Cong Liu(刘聪), Wei Jiang(姜伟) |
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First-principles investigations on structural stability, mechanical, and thermodynamic properties of LaT2Al20 (T=Ti, V, Cr, Nb, and Ta) intermetallic cage compounds |
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Chin. Phys. B
2018 Vol.27 (12): 126201-126201
[Abstract]
(532)
[HTML 1 KB]
[PDF 2753 KB]
(182)
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126302 |
Wei Xia(夏威), Jie Zhang(张洁), Gui-Qin Huang(黄桂芹) |
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The superconducting properties of a Pb/MoTe2/Pb heterostructure:First-principles calculations within the anisotropic Migdal-Eliashberg theory |
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Chin. Phys. B
2018 Vol.27 (12): 126302-126302
[Abstract]
(672)
[HTML 1 KB]
[PDF 4717 KB]
(176)
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118801 |
Gen-Cai Guo(郭根材), Changhao Wang(王长昊), Bang-Ming Ming(明帮铭), Si-Wei Luo(罗斯玮), Heng Su(苏恒), Bo-Ya Wang(王博亚), Ming Zhang(张铭), Hai-Jun Yu(尉海军), Ru-Zhi Wang(王如志) |
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High capacity sodium-rich layered oxide cathode for sodium-ion batteries |
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Chin. Phys. B
2018 Vol.27 (11): 118801-118801
[Abstract]
(688)
[HTML 1 KB]
[PDF 1621 KB]
(327)
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117102 |
Shenyuan Yang(杨身园), Jing Li(李静), Shu-Shen Li(李树深) |
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Antiferromagnetic–ferromagnetic transition in zigzag graphene nanoribbons induced by substitutional doping |
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Chin. Phys. B
2018 Vol.27 (11): 117102-117102
[Abstract]
(792)
[HTML 1 KB]
[PDF 2057 KB]
(246)
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117101 |
Jin-Ping Li(李金平), Song-He Meng(孟松鹤), Han-Tao Lu(陆汉涛), Takami Tohyama(遠山貴巳) |
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First-principles study on the mechanics, optical, and phonon properties of carbon chains |
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Chin. Phys. B
2018 Vol.27 (11): 117101-117101
[Abstract]
(786)
[HTML 1 KB]
[PDF 653 KB]
(164)
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106801 |
Yong Yang(杨勇), Fu-Chi Liu(刘富池), Yoshiyuki Kawazoe(川添良幸) |
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Adsorption and diffusion of F2 molecules on pristine graphene |
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Chin. Phys. B
2018 Vol.27 (10): 106801-106801
[Abstract]
(785)
[HTML 1 KB]
[PDF 1082 KB]
(225)
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107101 |
Tong Zhang(张桐), Hai-Qing Yin(尹海清), Cong Zhang(张聪), Xuan-Hui Qu(曲选辉), Qing-Jun Zheng(郑清军) |
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Effect of Mn doping on mechanical properties and electronic structure of WCoB ternary boride by first-principles calculations |
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Chin. Phys. B
2018 Vol.27 (10): 107101-107101
[Abstract]
(600)
[HTML 1 KB]
[PDF 2244 KB]
(229)
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97304 |
Jinkun Wang(王锦坤), Yajiao Ke(柯亚娇), Qingxing Xie(谢晴兴), Yanli Li(李艳丽), Jiafu Wang(王嘉赋) |
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Electric field manipulation of multiple nonequivalent Dirac cones in the electronic structures of hexagonal CrB4 sheet |
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Chin. Phys. B
2018 Vol.27 (9): 97304-097304
[Abstract]
(685)
[HTML 1 KB]
[PDF 1205 KB]
(211)
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97105 |
Min Sun(孙敏), Chong-Yu Wang(王崇愚), Ji-Ping Liu(刘吉平) |
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Multiscale energy density algorithm and application to surface structure of Ni matrix of superalloy |
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|
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Chin. Phys. B
2018 Vol.27 (9): 97105-097105
[Abstract]
(627)
[HTML 1 KB]
[PDF 995 KB]
(179)
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97102 |
Baokun Lu(路宝坤), Chong-Yu Wang(王崇愚), Zhihui Du(都志辉) |
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|
Site preferences of alloying transition metal elements in Ni-based superalloy: A first-principles study |
| |
|
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Chin. Phys. B
2018 Vol.27 (9): 97102-097102
[Abstract]
(858)
[HTML 1 KB]
[PDF 936 KB]
(212)
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97101 |
Yan-Long Fu(付艳龙), Chang-Kai Li(李长楷), Zhao-Jun Zhang(张昭军), Hai-Bo Sang(桑海波), Wei Cheng(程伟), Feng-Shou Zhang(张丰收) |
| |
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Electronic properties of defects in Weyl semimetal tantalum arsenide |
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|
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Chin. Phys. B
2018 Vol.27 (9): 97101-097101
[Abstract]
(657)
[HTML 1 KB]
[PDF 3693 KB]
(264)
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84210 |
Asghar Mohammadi Hesari, Hamid Reza Shamlouei |
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Influences of adsorptions of some inorganic molecules on electronic, optical, and thermodynamic properties of Mg12O12 nanocage: A computational approach |
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|
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Chin. Phys. B
2018 Vol.27 (8): 84210-084210
[Abstract]
(594)
[HTML 1 KB]
[PDF 7924 KB]
(157)
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83601 |
Han-Xing Zhang(张汉星), Chao-Hao Hu(胡朝浩), Dian-Hui Wang(王殿辉), Yan Zhong(钟燕), Huai-Ying Zhou(周怀营), Guang-Hui Rao(饶光辉) |
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Structural evolutions and electronic properties of AunGd (n=6-15) small clusters: A first principles study |
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Chin. Phys. B
2018 Vol.27 (8): 83601-083601
[Abstract]
(641)
[HTML 1 KB]
[PDF 1663 KB]
(155)
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83401 |
Si-Mei Sun(孙四梅), Song Zhang(张嵩), Chao Jiang(江超), Xiao-Shan Guo(郭小珊), Yi-Hui Hu(胡义慧) |
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Theoretical study on twisted intramolecular charge transfer of 1-aminoanthraquinone in different solvents |
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|
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Chin. Phys. B
2018 Vol.27 (8): 83401-083401
[Abstract]
(518)
[HTML 1 KB]
[PDF 588 KB]
(170)
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77104 |
Baokun Lu(路宝坤), Chongyu Wang(王崇愚) |
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The effects of combining alloying elements on the elastic properties of γ-Ni in Ni-based superalloy: High-throughput first-principles calculations |
| |
|
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Chin. Phys. B
2018 Vol.27 (7): 77104-077104
[Abstract]
(705)
[HTML 1 KB]
[PDF 1597 KB]
(216)
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77103 |
Min Sun(孙敏), Chong-Yu Wang(王崇愚), Ji-Ping Liu(刘吉平) |
| |
|
Anisotropic elastic properties and ideal uniaxial compressive strength of TiB2 from first principles calculations |
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|
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Chin. Phys. B
2018 Vol.27 (7): 77103-077103
[Abstract]
(679)
[HTML 1 KB]
[PDF 550 KB]
(219)
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76104 |
Lei Tao(陶蕾), Yu-Yang Zhang(张余洋), Jiatao Sun(孙家涛), Shixuan Du(杜世萱), Hong-Jun Gao(高鸿钧) |
| |
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Band engineering of double-wall Mo-based hybrid nanotubes |
| |
|
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Chin. Phys. B
2018 Vol.27 (7): 76104-076104
[Abstract]
(708)
[HTML 1 KB]
[PDF 1635 KB]
(206)
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63103 |
Xiang-Yue Liu(刘湘月), Hong Zhang(张红), Xin-Lu Cheng(程新路) |
| |
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Effect of nickel segregation on CuΣ9 grain boundary undergone shear deformations |
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Chin. Phys. B
2018 Vol.27 (6): 63103-063103
[Abstract]
(872)
[HTML 0 KB]
[PDF 19342 KB]
(167)
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67103 |
Huan-Cheng Yang(杨焕成), Kai Liu(刘 凯), Zhong-Yi Lu(卢仲毅) |
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|
Magnetic interactions in a proposed diluted magnetic semiconductor (Ba1-xKx)(Zn1-yMny)2P2 |
| |
|
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Chin. Phys. B
2018 Vol.27 (6): 67103-067103
[Abstract]
(691)
[HTML 1 KB]
[PDF 1195 KB]
(350)
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63401 |
Zhong-An Jiang(蒋仲安), Ya Peng(彭亚), Ju-Shi Chen(陈举师), Gui Lan(兰桂), Hao-Yu Lin(林浩宇) |
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Dynamics of the CH4+O(3P)→CH3(ν=0)+OH(ν'=0) reaction |
| |
|
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Chin. Phys. B
2018 Vol.27 (6): 63401-063401
[Abstract]
(584)
[HTML 1 KB]
[PDF 1297 KB]
(180)
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63102 |
Francisco E Jorge, José R da Costa Venâncio |
| |
|
Structure, stability, catalytic activity, and polarizabilities of small iridium clusters |
| |
|
|
Chin. Phys. B
2018 Vol.27 (6): 63102-063102
[Abstract]
(553)
[HTML 0 KB]
[PDF 486 KB]
(597)
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57701 |
Jingjing Wu(吴静静), Xin Tang(唐鑫), Fei Long(龙飞), Biyu Tang(唐壁玉) |
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|
Effect of O-O bonds on p-type conductivity in Ag-doped ZnO twin grain boundaries |
| |
|
|
Chin. Phys. B
2018 Vol.27 (5): 57701-057701
[Abstract]
(657)
[HTML 0 KB]
[PDF 2207 KB]
(247)
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46301 |
Xin Kong(孔鑫), Miao Gao(高淼), Xun-Wang Yan(闫循旺), Zhong-Yi Lu(卢仲毅), Tao Xiang(向涛) |
| |
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Superconductivity in electron-doped arsenene |
| |
|
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Chin. Phys. B
2018 Vol.27 (4): 46301-046301
[Abstract]
(1029)
[HTML 1 KB]
[PDF 3158 KB]
(381)
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37102 |
Yunliang Yue(乐云亮), Yu Song(宋宇), Xu Zuo(左旭) |
| |
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First-principles investigations of proton generation in α-quartz |
| |
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Chin. Phys. B
2018 Vol.27 (3): 37102-037102
[Abstract]
(681)
[HTML 1 KB]
[PDF 4927 KB]
(325)
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26101 |
Yong Li(李勇), Xue-Fang Dai(代学芳), Guo-Dong Liu(刘国栋), Zhi-Yang Wei(魏志阳), En-Ke Liu(刘恩克), Xiao-Lei Han(韩小磊), Zhi-Wei Du(杜志伟), Xue-Kui Xi(郗学奎), Wen-Hong Wang(王文洪), Guang-Heng Wu(吴光恒) |
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|
Structural, magnetic properties, and electronic structure of hexagonal FeCoSn compound |
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|
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Chin. Phys. B
2018 Vol.27 (2): 26101-026101
[Abstract]
(659)
[HTML 1 KB]
[PDF 2156 KB]
(344)
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18806 |
Dingrong Liu(刘定荣), Dan Han(韩丹), Menglin Huang(黄梦麟), Xian Zhang(张弦), Tao Zhang(张涛), Chenmin Dai(戴称民), Shiyou Chen(陈时友) |
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Theoretical study on the kesterite solar cells based on Cu2ZnSn(S,Se)4 and related photovoltaic semiconductors |
| |
|
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Chin. Phys. B
2018 Vol.27 (1): 18806-018806
[Abstract]
(824)
[HTML 1 KB]
[PDF 5457 KB]
(1278)
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16201 |
Wangqiang He(贺王强), Houbing Huang(黄厚兵), Zhuhong Liu(柳祝红), Xingqiao Ma(马星桥) |
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First-principles calculations on elastic, magnetoelastic, and phonon properties of Ni2FeGa magnetic shape memory alloys |
| |
|
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Chin. Phys. B
2018 Vol.27 (1): 16201-016201
[Abstract]
(575)
[HTML 1 KB]
[PDF 771 KB]
(415)
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17502 |
Fei Guo(郭飞), Yaping Wu(吴雅苹), Zhiming Wu(吴志明), Ting Chen(陈婷), Heng Li(李恒), Chunmiao Zhang(张纯淼), Mingming Fu(付明明), Yihong Lu(卢奕宏), Junyong Kang(康俊勇) |
| |
|
Strong anti-strain capacity of CoFeB/MgO interface on electronic structure and state coupling |
| |
|
|
Chin. Phys. B
2018 Vol.27 (1): 17502-017502
[Abstract]
(631)
[HTML 1 KB]
[PDF 2494 KB]
(191)
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17101 |
Mei Tang(汤梅), Jia-Xiang Shang(尚家香), Yue Zhang(张跃) |
| |
|
Density functional theory analysis of electronic structure and optical properties of La-doped Cd2SnO4 transparent conducting oxide |
| |
|
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Chin. Phys. B
2018 Vol.27 (1): 17101-017101
[Abstract]
(671)
[HTML 1 KB]
[PDF 926 KB]
(270)
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127402 |
Xiaohuai Wang(王小怀), Chengzhao Chen(陈城钊), Shengqi Feng(冯胜奇), Xinyuan Wei(魏心源), Yun Li(李云) |
| |
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A hybrid functional first-principles study on the band structure of non-strained Ge1-xSnx alloys |
| |
|
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Chin. Phys. B
2017 Vol.26 (12): 127402-127402
[Abstract]
(625)
[HTML 0 KB]
[PDF 3989 KB]
(295)
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123102 |
Zhu-Xia Zhang(张竹霞), Yong Zhang(张勇), Wen-Hua Xue(薛文华), Wei Jia(贾伟), Cai-Li Zhang(张彩丽), Chun-Xia Li(李春霞), Peng Cui(崔鹏) |
| |
|
CN bond orientation in metal carbonitride endofullerenes:A density functional theory study |
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|
|
Chin. Phys. B
2017 Vol.26 (12): 123102-123102
[Abstract]
(528)
[HTML 1 KB]
[PDF 1136 KB]
(240)
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126202 |
Pei Yan(闫佩), Xiao-Yu Chong(种晓宇), Ye-Hua Jiang(蒋业华), Jing Feng(冯晶) |
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|
Effects of alloying element on stabilities, electronic structures, and mechanical properties of Pd-based superalloys |
| |
|
|
Chin. Phys. B
2017 Vol.26 (12): 126202-126202
[Abstract]
(838)
[HTML 0 KB]
[PDF 1698 KB]
(219)
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116501 |
Vahedeh Razzazi, Sholeh Alaei |
| |
|
First-principles calculations of structural and thermodynamic properties of β-PbO |
| |
|
|
Chin. Phys. B
2017 Vol.26 (11): 116501-116501
[Abstract]
(538)
[HTML 1 KB]
[PDF 1488 KB]
(323)
|
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108101 |
Yan Su(苏燕), Xinyu Fan(范新宇) |
| |
|
Germanene nanomeshes:Cooperative effects of degenerate perturbation and uniaxial strain on tuning bandgap |
| |
|
|
Chin. Phys. B
2017 Vol.26 (10): 108101-108101
[Abstract]
(560)
[HTML 1 KB]
[PDF 4375 KB]
(188)
|
|
|
106201 |
F Parvin, S H Naqib |
| |
|
Elastic, thermodynamic, electronic, and optical properties of recently discovered superconducting transition metal boride NbRuB:An ab-initio investigation |
| |
|
|
Chin. Phys. B
2017 Vol.26 (10): 106201-106201
[Abstract]
(551)
[HTML 1 KB]
[PDF 729 KB]
(321)
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96301 |
Hai-Ming Huang(黄海铭), Zhen-Yi Jiang(姜振益), Shi-Jun Luo(罗时军) |
| |
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First-principles investigations on the mechanical, thermal,electronic, and optical properties of the defect perovskites Cs2SnX6 (X= Cl, Br, I) |
| |
|
|
Chin. Phys. B
2017 Vol.26 (9): 96301-096301
[Abstract]
(702)
[HTML 1 KB]
[PDF 661 KB]
(900)
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87301 |
Song Yu(俞松), Yong-Chao Rao(饶勇超), Xiang-Mei Duan(段香梅) |
| |
|
Modulating the properties of monolayer C2N: A promising metal-free photocatalyst for water splitting |
| |
|
|
Chin. Phys. B
2017 Vol.26 (8): 87301-087301
[Abstract]
(767)
[HTML 1 KB]
[PDF 11773 KB]
(404)
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|
87103 |
Linlin Xiang(相琳琳), Shenyuan Yang(杨身园) |
| |
|
Uniaxial strain-modulated electronic structures of CdX (X=S, Se, Te) from first-principles calculations: A comparison between bulk and nanowires |
| |
|
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Chin. Phys. B
2017 Vol.26 (8): 87103-087103
[Abstract]
(570)
[HTML 1 KB]
[PDF 817 KB]
(270)
|
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|
77401 |
Bing Shen(沈兵), Li Yu(俞理), Kai Liu(刘凯), Shou-Peng Lyu(吕守鹏), Xiao-Wen Jia(贾小文), E D Bauer, J D Thompson, Yan Zhang(张艳), Chen-Lu Wang(王晨露), Cheng Hu(胡成), Ying Ding(丁颖), Xuan Sun(孙璇), Yong Hu(胡勇), Jing Liu(刘静), Qiang Gao(高强), Lin Zhao(赵林), Guo-Dong Liu(刘国东), Zu-Yan Xu(许祖彦), Chuang-Tian Chen(陈创天), Zhong-Yi Lu(卢仲毅), X J Zhou(周兴江) |
| |
|
Electronic structure of heavy fermion system CePt2In7 from angle-resolved photoemission spectroscopy |
| |
|
|
Chin. Phys. B
2017 Vol.26 (7): 77401-077401
[Abstract]
(772)
[HTML 1 KB]
[PDF 7247 KB]
(377)
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66201 |
Quan Zhang(张权), Qun Wei(魏群), Hai-Yan Yan(闫海燕), Xuan-Min Zhu(朱轩民), Jun-Qin Zhang(张军琴), Xiao-Fei Jia(贾晓菲), Rong-Hui Yao(姚荣辉) |
| |
|
Stability, elastic anisotropy, and electronic properties of Ca2C3 |
| |
|
|
Chin. Phys. B
2017 Vol.26 (6): 66201-066201
[Abstract]
(839)
[HTML 1 KB]
[PDF 1029 KB]
(513)
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60703 |
Ke-Di Yin(殷克迪), Xi-Tong Zhang(张西通), Qing Huang(黄庆), Jian-Ming Xue(薛建明) |
| |
|
Theoretical investigation on radiation tolerance of Mn+1AXn phases |
| |
|
|
Chin. Phys. B
2017 Vol.26 (6): 60703-060703
[Abstract]
(603)
[HTML 1 KB]
[PDF 932 KB]
(385)
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|
57103 |
Wei-Hu Zhang(张威虎), Fu-Chun Zhang(张富春), Wei-Bin Zhang(张伟斌), Shao-Lin Zhang(张绍林), Woochul Yang |
| |
|
First-principle study of the structural, electronic, and optical properties of SiC nanowires |
| |
|
|
Chin. Phys. B
2017 Vol.26 (5): 57103-057103
[Abstract]
(546)
[HTML 0 KB]
[PDF 1586 KB]
(662)
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|
|
57101 |
K Bettine, O Sahnoun, M Sahnoun, M Driz |
| |
|
Effect of anionic ordering on the electronic and optical properties of BaTaO2N: TB-mBJ density functional calculation |
| |
|
|
Chin. Phys. B
2017 Vol.26 (5): 57101-057101
[Abstract]
(704)
[HTML 1 KB]
[PDF 2586 KB]
(508)
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47401 |
Yi Zhang(张奕), Xiang-Ming Tao(陶向明), Ming-Qiu Tan(谭明秋) |
| |
|
Density-functional theory study on the electronic properties of laves phase superconductor CaIr2 |
| |
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Chin. Phys. B
2017 Vol.26 (4): 47401-047401
[Abstract]
(537)
[HTML 1 KB]
[PDF 1943 KB]
(453)
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47101 |
Jun Li(李君), Shuang Xu(徐爽), Jin-Yong Zhang(张金咏), Li-Sheng Liu(刘立胜), Qi-Wen Liu(刘齐文), Wu-Chang She(佘武昌), Zheng-Yi Fu(傅正义) |
| |
|
Ab initio study on the anisotropy of mechanical behavior and deformation mechanism for boron carbide |
| |
|
|
Chin. Phys. B
2017 Vol.26 (4): 47101-047101
[Abstract]
(744)
[HTML 1 KB]
[PDF 3927 KB]
(335)
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44101 |
Chao Chen(陈超), Wang Jun(王君) |
| |
|
Computational and experimental verification of a wide-angle metamaterial absorber |
| |
|
|
Chin. Phys. B
2017 Vol.26 (4): 44101-044101
[Abstract]
(558)
[HTML 1 KB]
[PDF 1415 KB]
(329)
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|
33102 |
M A Ali, M R Khatun, N Jahan, M M Hossain |
| |
|
Comparative study of Mo2Ga2C with superconducting MAX phase Mo2GaC: First-principles calculations |
| |
|
|
Chin. Phys. B
2017 Vol.26 (3): 33102-033102
[Abstract]
(623)
[HTML 1 KB]
[PDF 871 KB]
(343)
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37302 |
Xue-Ke Wu(吴学科), Wei-Qi Huang(黄伟其), Zhong-Mei Huang(黄忠梅), Chao-Jian Qin(秦朝建), Tai-Ge Dong(董泰阁), Gang Wang(王刚), Yan-Lin Tang(唐延林) |
| |
|
Band structure of silicon and germanium thin films based on first principles |
| |
|
|
Chin. Phys. B
2017 Vol.26 (3): 37302-037302
[Abstract]
(832)
[HTML 0 KB]
[PDF 1911 KB]
(616)
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|
|
37103 |
M A Hadi, M S Ali, S H Naqib, A K M A Islam |
| |
|
New ternary superconducting compound LaRu2As2: Physical properties from density functional theory calculations |
| |
|
|
Chin. Phys. B
2017 Vol.26 (3): 37103-037103
[Abstract]
(521)
[HTML 0 KB]
[PDF 794 KB]
(429)
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37101 |
Fu-Ning Wang(王芙凝), Ji-Chao Li(李吉超), Xin-Miao Zhang(张鑫淼), Han-Zhang Liu(刘汉璋), Jian Liu(刘剑), Chun-Lei Wang(王春雷), Ming-Lei Zhao(赵明磊), Wen-Bin Su(苏文斌), Liang-Mo Mei(梅良模) |
| |
|
Electrical property effect of oxygen vacancies in the heterojunction of LaGaO3/SrTiO3 |
| |
|
|
Chin. Phys. B
2017 Vol.26 (3): 37101-037101
[Abstract]
(742)
[HTML 1 KB]
[PDF 529 KB]
(363)
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30501 |
Jing-Tian Li(李菁田), Bo-Yuan Ning(宁博元), Le-Cheng Gong(龚乐诚), Jun Zhuang(庄军), Xi-Jing Ning(宁西京) |
| |
|
Rapidly calculating the partition function of macroscopic systems |
| |
|
|
Chin. Phys. B
2017 Vol.26 (3): 30501-030501
[Abstract]
(690)
[HTML 1 KB]
[PDF 552 KB]
(234)
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28103 |
Yanpei Wei(魏艳佩), Tiantian Jia(贾甜甜), Gang Chen(陈刚) |
| |
|
Geometrically induced π-band splitting in graphene superlattices |
| |
|
|
Chin. Phys. B
2017 Vol.26 (2): 28103-028103
[Abstract]
(691)
[HTML 1 KB]
[PDF 4487 KB]
(1073)
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27103 |
Ping Liu(刘萍), Zhen-Zhen Qin(秦真真), Yun-Liang Yue(乐云亮), Xu Zuo(左旭) |
| |
|
Structural, electronic, and magnetic properties of vanadium atom-adsorbed MoSe2 monolayer |
| |
|
|
Chin. Phys. B
2017 Vol.26 (2): 27103-027103
[Abstract]
(596)
[HTML 1 KB]
[PDF 1520 KB]
(675)
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127101 |
Zong-Yan Zhao(赵宗彦), Wen Yang(杨雯), Pei-Zhi Yang(杨培志) |
| |
|
Electronic structure of O-doped SiGe calculated by DFT+U method |
| |
|
|
Chin. Phys. B
2016 Vol.25 (12): 127101-127101
[Abstract]
(593)
[HTML 1 KB]
[PDF 89191 KB]
(286)
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127102 |
Wujisiguleng Bao(包乌吉斯古楞), Sachuronggui(萨初荣贵), Fang-Yuan Qiu(仇方圆) |
| |
|
Band offsets engineering at CdxZn1-xS/Cu2ZnSnS4 heterointerface |
| |
|
|
Chin. Phys. B
2016 Vol.25 (12): 127102-127102
[Abstract]
(803)
[HTML 1 KB]
[PDF 397 KB]
(354)
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|
123103 |
Yanni Gu(顾艳妮), Sheng Xu(徐胜), Xiaoshan Wu(吴小山) |
| |
|
First-principle investigation on perovskite La1-xEuxGaO3 |
| |
|
|
Chin. Phys. B
2016 Vol.25 (12): 123103-123103
[Abstract]
(604)
[HTML 1 KB]
[PDF 773 KB]
(334)
|
|
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123102 |
Francisco E Jorge, Luiz G M de Macedo |
| |
|
Dipole (hyper) polarizabilities of neutral silver clusters |
| |
|
|
Chin. Phys. B
2016 Vol.25 (12): 123102-123102
[Abstract]
(701)
[HTML 1 KB]
[PDF 738 KB]
(262)
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123101 |
Hong-Xia Liu(柳红霞), Fu-Ling Tang(汤富领), Hong-Tao Xue(薛红涛), Yu Zhang(张宇), Yu-Wen Cheng(程育汶), Yu-Dong Feng(冯煜东) |
| |
|
Lattice structures and electronic properties of WZ-CuInS2/WZ-CdS interface from first-principles calculations |
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|
|
Chin. Phys. B
2016 Vol.25 (12): 123101-123101
[Abstract]
(648)
[HTML 1 KB]
[PDF 3247 KB]
(368)
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117103 |
Xiao-Ou Zhang(张小欧), Qing-Fang Li(李庆芳) |
| |
|
Strain-induced magnetism in ReS2 monolayer with defects |
| |
|
|
Chin. Phys. B
2016 Vol.25 (11): 117103-117103
[Abstract]
(680)
[HTML 1 KB]
[PDF 949 KB]
(336)
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113101 |
Yong Li(李勇), Xiao-Juan Ma(马小娟), Qi-Jun Liu(刘其军), Ge-Xing Kong(孔歌星), Hai-Xia Ma(马海霞), Wen-Peng Wang(王文鹏), Yi-Gao Wang(汪贻高), Zhen Jiao(焦振), Fu-Sheng Liu(刘福生), Zheng-Tang Liu(刘正堂) |
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Theoretics-directed effect of copper or aluminum content on the ductility characteristics of Al-based (Al3Ti,AlTi,AlCu,AlTiCu2) intermetallic compounds |
| |
|
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Chin. Phys. B
2016 Vol.25 (11): 113101-113101
[Abstract]
(576)
[HTML 1 KB]
[PDF 512 KB]
(426)
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107202 |
Li-Juan Wu(伍丽娟), Yu-Qing Zhao(赵宇清), Chang-Wen Chen(陈畅文), Ling-Zhi Wang(王琳芝), Biao Liu(刘标), Meng-Qiu Cai(蔡孟秋) |
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First-principles hybrid functional study of the electronic structure and charge carrier mobility in perovskite CH3NH3SnI3 |
| |
|
|
Chin. Phys. B
2016 Vol.25 (10): 107202-107202
[Abstract]
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[HTML 1 KB]
[PDF 1755 KB]
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107104 |
Meng-Li Huang(黄梦礼), Chong-Yu Wang(王崇愚) |
| |
|
First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni3Al intermetallics |
| |
|
|
Chin. Phys. B
2016 Vol.25 (10): 107104-107104
[Abstract]
(557)
[HTML 1 KB]
[PDF 792 KB]
(284)
|
|
|
107103 |
M A Hadi, M S Ali |
| |
|
New ordered MAX phase Mo2TiAlC2: Elastic and electronic properties from first-principles |
| |
|
|
Chin. Phys. B
2016 Vol.25 (10): 107103-107103
[Abstract]
(570)
[HTML 1 KB]
[PDF 7476 KB]
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103103 |
Shu-Dong Zhang(张树东), Chao Liu(刘超) |
| |
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Low-lying electronic states of CuN calculated by MRCI method |
| |
|
|
Chin. Phys. B
2016 Vol.25 (10): 103103-103103
[Abstract]
(793)
[HTML 1 KB]
[PDF 274 KB]
(303)
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94220 |
Ali Raoof Toosi, Hamid Reza Shamlouei, Asghar Mohammadi Hesari |
| |
|
Influence of alkali metal superoxides on structure, electronic, and optical properties of Be12O12 nanocage: Density functional theory study |
| |
|
|
Chin. Phys. B
2016 Vol.25 (9): 94220-094220
[Abstract]
(614)
[HTML 1 KB]
[PDF 2664 KB]
(433)
|
|
|
83101 |
Parvin R, Parvin F, Ali M S, Islam A K M A |
| |
|
Band structure, Fermi surface, elastic, thermodynamic, and optical properties of AlZr3, AlCu3, and AlCu2Zr: First-principles study |
| |
|
|
Chin. Phys. B
2016 Vol.25 (8): 83101-083101
[Abstract]
(752)
[HTML 1 KB]
[PDF 6057 KB]
(548)
|
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76104 |
M Shakil, Muhammad Zafar, Shabbir Ahmed, Muhammad Raza-ur-rehman Hashmi, M A Choudhary, T Iqbal |
| |
|
Theoretical calculations of structural, electronic, and elastic properties of CdSe1-xTex: A first principles study |
| |
|
|
Chin. Phys. B
2016 Vol.25 (7): 76104-076104
[Abstract]
(725)
[HTML 1 KB]
[PDF 764 KB]
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|
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76401 |
Da-hua Ren(任达华), Xin-lu Cheng(程新路), Hong Zhang(张红) |
| |
|
Photo-induced athermal phase transitions of HgX (X= S, Se, Te) by ab initio study |
| |
|
|
Chin. Phys. B
2016 Vol.25 (7): 76401-076401
[Abstract]
(580)
[HTML 1 KB]
[PDF 313 KB]
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77402 |
Xia Dai(代霞), Cong-Cong Le(勒聪聪), Xian-Xin Wu(吴贤新), Jiang-Ping Hu(胡江平) |
| |
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Hybrid crystals of cuprates and iron-based superconductors |
| |
|
|
Chin. Phys. B
2016 Vol.25 (7): 77402-077402
[Abstract]
(720)
[HTML 1 KB]
[PDF 2074 KB]
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67801 |
Chao-Hao Hu(胡朝浩), Xue-Hui Yin(殷学辉), Dian-Hui Wang(王殿辉), Yan Zhong(钟燕), Huai-Ying Zhou(周怀营), Guang-Hui Rao(饶光辉) |
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First-principles studies of electronic, optical, and mechanical properties of γ-Bi2Sn2O7 |
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Chin. Phys. B
2016 Vol.25 (6): 67801-067801
[Abstract]
(587)
[HTML 1 KB]
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67503 |
Hai-Ying Xing(邢海英), Yu Chen(陈雨), Chen Ji(纪骋), Sheng-Xiang Jiang(蒋盛翔), Meng-Yao Yuan(苑梦尧), Zhi-Ying Guo(郭志英), Kun Li(李琨), Ming-Qi Cui(崔明启), Guo-Yi Zhang(张国义) |
| |
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Role of vacancy-type defects in magnetism of GaMnN |
| |
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Chin. Phys. B
2016 Vol.25 (6): 67503-067503
[Abstract]
(647)
[HTML 1 KB]
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67103 |
Bo Xu(徐波), Huan-Sheng Lu(卢欢胜), Bo Liu(刘波), Gang Liu(刘刚), Mu-Sheng Wu(吴木生), Chuying Ouyang(欧阳楚英) |
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Comparisons between adsorption and diffusion of alkali, alkaline earth metal atoms on silicene and those on silicane: Insight from first-principles calculations |
| |
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Chin. Phys. B
2016 Vol.25 (6): 67103-067103
[Abstract]
(609)
[HTML 1 KB]
[PDF 1333 KB]
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57103 |
Wei Zhang(张玮), Jie Huang(黄洁) |
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First-principles study of strain effect on the formation and electronic structures of oxygen vacancy in SrFeO2 |
| |
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Chin. Phys. B
2016 Vol.25 (5): 57103-057103
[Abstract]
(667)
[HTML 1 KB]
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57301 |
Jing Wang(王静), Peng Zhang(张鹏), Xiang-Mei Duan(段香梅) |
| |
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First-principles modeling hydrogenation of bilayered boron nitride |
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Chin. Phys. B
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[HTML 1 KB]
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57102 |
Xiao-Lin Zhang(张晓林), Yuan-Yuan Wu(武媛媛), Xiao-Hong Shao(邵晓红), Yong Lu(鲁勇), Ping Zhang(张平) |
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First-principles study of the elastic and thermodynamic properties of thorium hydrides at high pressure |
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Chin. Phys. B
2016 Vol.25 (5): 57102-057102
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[HTML 1 KB]
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53101 |
Lu-Lu Zhang(张路路), Yu-Zhi Song(宋玉志), Shou-Bao Gao(高守宝), Yuan Zhang(张媛), Qing-Tian Meng(孟庆田) |
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Accurate double many-body expansion potential energy surface of HS2(A2A') by scaling the external correlation |
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Chin. Phys. B
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[Abstract]
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[HTML 1 KB]
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47302 |
Wei-Min Zheng(郑卫民), Su-Mei Li(李素梅), Wei-Yan Cong(丛伟艳), Ai-Fang Wang(王爱芳), Bin Li(李斌), Hai-Bei Huang(黄海北) |
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Excitonic transitions in Be-doped GaAs/AlAs multiple quantum well |
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Chin. Phys. B
2016 Vol.25 (4): 47302-047302
[Abstract]
(695)
[HTML 1 KB]
[PDF 304 KB]
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33102 |
Lin Zhang(张林), Ying-Hua Li(李英华), Xue-Mei Li(李雪梅), Zu-Gen Zhang(张祖根), Xiang-Ping Ye(叶想平), Ling-Cang Cai(蔡灵仓) |
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γ-and α-Ce phase diagram: First-principle calculation |
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2016 Vol.25 (3): 33102-033102
[Abstract]
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[HTML 1 KB]
[PDF 305 KB]
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37102 |
Wen-Liu Zhou(周文流), Zong-Yan Zhao(赵宗彦) |
| |
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Electronic structures of efficient MBiO3 (M = Li, Na, K, Ag) photocatalyst |
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Chin. Phys. B
2016 Vol.25 (3): 37102-037102
[Abstract]
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[HTML 0 KB]
[PDF 1939 KB]
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38504 |
Yan-Wen Chen(陈燕文), Zhen Tan(谭桢), Lian-Feng Zhao(赵连锋), Jing Wang(王敬), Yi-Zhou Liu(刘易周),Chen Si(司晨), Fang Yuan(袁方), Wen-Hui Duan(段文晖), Jun Xu(许军) |
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Mobility enhancement of strained GaSb p-channel metal—oxide—semiconductor field-effect transistorswith biaxial compressive strain |
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Chin. Phys. B
2016 Vol.25 (3): 38504-038504
[Abstract]
(622)
[HTML 1 KB]
[PDF 2024 KB]
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36601 |
Xianglong Li(李向龙), Ping Wu(吴平), Ruijie Yang(杨锐杰), Dan Yan(闫丹), Sen Chen(陈森), Shiping Zhang(张师平), Ning Chen(陈宁) |
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Boron diffusion in bcc-Fe studied by first-principles calculations |
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Chin. Phys. B
2016 Vol.25 (3): 36601-036601
[Abstract]
(751)
[HTML 1 KB]
[PDF 975 KB]
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28202 |
Feng-Ya Rao(饶凤雅), Fang-Hua Ning(宁芳华), Li-Wei Jiang(蒋礼威), Xiang-Ming Zeng(曾祥明), Mu-Sheng Wu(吴木生), Bo Xu(徐波), Chu-Ying Ouyang(欧阳楚英) |
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First principle study of LiXS2 (X = Ga, In) as cathode materials for Li ion batteries |
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Chin. Phys. B
2016 Vol.25 (2): 28202-028202
[Abstract]
(675)
[HTML 1 KB]
[PDF 1667 KB]
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26501 |
Qing-Yun Xiong(熊青云), Qi-Xia Shen(沈启霞), Rui-Zi Li(李蕊子), Jiang Shen(申江), Fu-Yang Tian(田付阳) |
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First-principle investigation on the thermodynamics of X2N2O (X= C, Si, Ge) compounds |
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Chin. Phys. B
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[Abstract]
(939)
[HTML 1 KB]
[PDF 1340 KB]
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27101 |
G. Bilgeç Akyüz, A. Y. Tunali, S. E. Gulebaglan, N. B. Yurdasan |
| |
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First-principles calculations of structural and electronic properties of TlxGa1-xAs alloys |
| |
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Chin. Phys. B
2016 Vol.25 (2): 27101-027101
[Abstract]
(691)
[HTML 1 KB]
[PDF 1199 KB]
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18208 |
Shi-Gang Ling(凌仕刚), Jian Gao(高健), Rui-Juan Xiao(肖睿娟), Li-Quan Chen(陈立泉) |
| |
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High-throughput theoretical design of lithium battery materials |
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2016 Vol.25 (1): 18208-018208
[Abstract]
(810)
[HTML 1 KB]
[PDF 2487 KB]
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18203 |
Hu-Rong Yao(姚胡蓉), Ya-Xia Yin(殷雅侠), Yu-Guo Guo (郭玉国) |
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Size effects in lithium ion batteries |
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Chin. Phys. B
2016 Vol.25 (1): 18203-018203
[Abstract]
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[HTML 1 KB]
[PDF 1034 KB]
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13104 |
Yexin Feng(冯页新), Ji Chen(陈基), Xin-Zheng Li(李新征), Enge Wang(王恩哥) |
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Ab initio path-integral molecular dynamics and the quantum nature of hydrogen bonds |
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Chin. Phys. B
2016 Vol.25 (1): 13104-013104
[Abstract]
(1010)
[HTML 1 KB]
[PDF 2341 KB]
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13103 |
Fu-Zhen Zhang(张付珍), Hong-Tao Xue(薛红涛), Fu-Ling Tang(汤富领), Xiao-Kang Li(李小康), Wen-Jiang Lu(路文江), Yu-Dong Feng(冯煜东) |
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Phase equilibrium of Cd1-xZnxS alloys studied by first-principles calculations and Monte Carlo simulations |
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Chin. Phys. B
2016 Vol.25 (1): 13103-013103
[Abstract]
(657)
[HTML 1 KB]
[PDF 2129 KB]
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120502 |
Li Xiao-Ping (李小平), Sun Shun-Ping (孙顺平), Yu Yun (于赟), Wang Hong-Jin (王洪金), Jiang Yong (江勇), Yi Dan-Qing (易丹青) |
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|
Composition and temperature dependences of site occupation for Al, Cr, W, and Nb in MoSi2 |
| |
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|
Chin. Phys. B
2015 Vol.24 (12): 120502-120502
[Abstract]
(595)
[HTML 1 KB]
[PDF 1004 KB]
(320)
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117402 |
Liu Kai (刘凯), Gao Miao (高淼), Lu Zhong-Yi (卢仲毅), Xiang Tao (向涛) |
| |
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First-principles study of FeSe epitaxial films on SrTiO3 |
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Chin. Phys. B
2015 Vol.24 (11): 117402-117402
[Abstract]
(735)
[HTML 1 KB]
[PDF 457 KB]
(702)
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116301 |
Yang Xiao-Yong (杨晓勇), Lu Yong (鲁勇), Zheng Fa-Wei (郑法伟), Zhang Ping (张平) |
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Mechanical, electronic, and thermodynamic properties of zirconium carbide from first-principles calculations |
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Chin. Phys. B
2015 Vol.24 (11): 116301-116301
[Abstract]
(640)
[HTML 1 KB]
[PDF 1357 KB]
(627)
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100204 |
Liao Yin-Hong (廖胤鸿), Zhu Hua-Cheng (朱铧丞), Tang Zheng-Ming (唐正明), Huang Ka-Ma (黄卡玛) |
| |
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Transformation optics for efficient calculation of transmembrane voltage induced on cells |
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Chin. Phys. B
2015 Vol.24 (10): 100204-100204
[Abstract]
(654)
[HTML 1 KB]
[PDF 815 KB]
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86102 |
Li Hui (李晖), Fu Hui-Xia (付会霞), Meng Sheng (孟胜) |
| |
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Silicene: from monolayer to multilayer–A concise review |
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Chin. Phys. B
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[Abstract]
(804)
[HTML 1 KB]
[PDF 1241 KB]
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96201 |
Duan Jie (段婕), Zhou Tong (周彤), Zhang Li (张莉), Du Ji-Guang (杜际广), Jiang Gang (蒋刚), Wang Hong-Bin (王宏斌) |
| |
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Elastic properties and electronic structures of lanthanide hexaborides |
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Chin. Phys. B
2015 Vol.24 (9): 96201-096201
[Abstract]
(652)
[HTML 1 KB]
[PDF 563 KB]
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86201 |
Wang Chen-Ju (王臣菊), Gu Jian-Bing (顾建兵), Kuang Xiao-Yu (邝小渝), Yang Xiang-Dong (杨向东) |
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Accurate calculations of the high-pressure elastic constants based on the first-principles |
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Chin. Phys. B
2015 Vol.24 (8): 86201-086201
[Abstract]
(747)
[HTML 1 KB]
[PDF 280 KB]
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76106 |
Muhammad Zafar, Shabbir Ahmed, M. Shakil, M. A. Choudhary, K. Mahmood |
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|
Theoretical investigation of sulfur defects on structural, electronic, and elastic properties of ZnSe semiconductor |
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Chin. Phys. B
2015 Vol.24 (7): 76106-076106
[Abstract]
(628)
[HTML 1 KB]
[PDF 553 KB]
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77802 |
Chen Xin (陈鑫), Zhao Qian-Qian (赵倩倩), Wang Xiao-Chun (王晓春), Chen Jun (陈军), Ju Xin (巨新) |
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Linear optical properties of defective KDP with oxygen vacancy: First-principles calculations |
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Chin. Phys. B
2015 Vol.24 (7): 77802-077802
[Abstract]
(747)
[HTML 1 KB]
[PDF 1421 KB]
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77301 |
Zhu Hui-Li (朱会丽), Yang Wei-Huang (杨伟煌), Wu Ya-Ping (吴雅苹), Lin Wei (林伟), Kang Jun-Yong (康俊勇), Zhou Chang-Jie (周昌杰) |
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Au and Ti induced charge redistributions on monolayer WS2 |
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Chin. Phys. B
2015 Vol.24 (7): 77301-077301
[Abstract]
(694)
[HTML 1 KB]
[PDF 1987 KB]
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56803 |
Li Lin (李林), Xu Jing (徐靖), Xu Li-Fang (徐力方), Lian Chao-Sheng (廉朝胜), Li Jun-Jie (李俊杰), Wang Jian-Tao (王建涛), Gu Chang-Zhi (顾长志) |
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|
Adsorption of glycine on diamond (001): Role of bond angle ofcarbon atoms |
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Chin. Phys. B
2015 Vol.24 (5): 56803-056803
[Abstract]
(691)
[HTML 1 KB]
[PDF 996 KB]
(392)
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43102 |
Wei Zhao (韦昭), Zhai Dong (翟东), Shao Xiao-Hong (邵晓红), Lu Yong (鲁勇), Zhang Ping (张平) |
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First-principles study of structural, elastic, and thermodynamic properties of ZrHf alloy |
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Chin. Phys. B
2015 Vol.24 (4): 43102-043102
[Abstract]
(821)
[HTML 0 KB]
[PDF 589 KB]
(1015)
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37504 |
Wu Fang (吴芳), Meng Pei-Wen (孟培雯), Luo Kang (罗康), Liu Yun-Fei (刘云飞), Kan Er-Jun (阚二军) |
| |
|
Reduction of defect-induced ferromagnetic stability in passivated ZnO nanowires |
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Chin. Phys. B
2015 Vol.24 (3): 37504-037504
[Abstract]
(923)
[HTML 0 KB]
[PDF 463 KB]
(599)
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37505 |
Gong Ji-Jun (巩纪军), Chen Ji-Pei (陈继培), Zhang Fei (张飞), Wu Hao (吴昊), Qin Ming-Hui (秦明辉), Zeng Min (曾敏), Gao Xing-Sen (高兴森), Liu Jun-Ming (刘俊明) |
| |
|
Tailoring the structural and magnetic properties of Cu-doped ZnO by c-axis pressure |
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|
Chin. Phys. B
2015 Vol.24 (3): 37505-037505
[Abstract]
(539)
[HTML 0 KB]
[PDF 668 KB]
(441)
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27503 |
Jiang Liang-Bao (姜良宝), Liu Yu (刘宇), Zuo Si-Bin (左思斌), Wang Wen-Jun (王文军) |
| |
|
Room-temperature ferromagnetism with high magnetic moment in Cu-doped AlN single crystal whiskers |
| |
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|
Chin. Phys. B
2015 Vol.24 (2): 27503-027503
[Abstract]
(628)
[HTML 0 KB]
[PDF 1714 KB]
(468)
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127301 |
Zhao Jing (赵晶), Dong Jing-Yu (董静雨), Ren Shu-Xia (任书霞), Zhang Li-Yong (张礼勇), Zhao Xu (赵旭), Chen Wei (陈伟) |
| |
|
First-principles study of the formation and electronic structure of a conductive filament in ZnO-based resistive random access memory |
| |
|
|
Chin. Phys. B
2014 Vol.23 (12): 127301-127301
[Abstract]
(674)
[HTML 1 KB]
[PDF 666 KB]
(420)
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123101 |
Wang Qian-Jin (王前进), Wang Jin-Bin (王金斌), Zhong Xiang-Li (钟向丽), Tan Qiu-Hong (谭秋红), Liu Ying-Kai (刘应开) |
| |
|
Electronic structure and magnetic properties of (Mn, N)-codoped ZnO |
| |
|
|
Chin. Phys. B
2014 Vol.23 (12): 123101-123101
[Abstract]
(566)
[HTML 1 KB]
[PDF 792 KB]
(460)
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106802 |
He Xiao-Min (贺小敏), Chen Zhi-Ming (陈治明), Pu Hong-Bin (蒲红斌), Li Lian-Bi (李连碧), Huang Lei (黄磊) |
| |
|
First-principles calculations on Si (220) located 6H-SiC (1010) surface with different stacking sites |
| |
|
|
Chin. Phys. B
2014 Vol.23 (10): 106802-106802
[Abstract]
(603)
[HTML 1 KB]
[PDF 900 KB]
(644)
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|
106107 |
Li Zhi-Wu (李志武), Kong Xiang-Shan (孔祥山), Liu-Wei (刘伟), Liu Chang-Song (刘长松), Fang Qian-Feng (方前峰) |
| |
|
Segregation of alloying atoms at a tilt symmetric grain boundary in tungsten and their strengthening and embrittling effects |
| |
|
|
Chin. Phys. B
2014 Vol.23 (10): 106107-106107
[Abstract]
(751)
[HTML 1 KB]
[PDF 549 KB]
(492)
|
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106108 |
Muhammad Zafar, Shabbir Ahmed, M. Shakil, M. A. Choudhary |
| |
|
First-principles calculations of structural, electronic, and thermodynamic properties of ZnO1-xSx alloys |
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Chin. Phys. B
2014 Vol.23 (10): 106108-106108
[Abstract]
(651)
[HTML 1 KB]
[PDF 385 KB]
(594)
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96104 |
Fan Xue-Lan (范雪兰), Niu Chun-Yao (牛春要), Wang Xin-Quan (王新全), Wang Jian-Tao (王建涛), Li Han-Dong (李捍东) |
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Structural stability and electronic properties of carbon star lattice monolayer |
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Chin. Phys. B
2014 Vol.23 (9): 96104-096104
[Abstract]
(479)
[HTML 1 KB]
[PDF 1268 KB]
(640)
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86802 |
Qiao Liang (乔靓), Wang Shu-Min (王淑敏), Zhang Xiao-Ming (张晓明), Hu Xiao-Ying (胡小颖), Zeng Yi (曾毅), Zheng Wei-Tao (郑伟涛) |
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Adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co (200)：A first-principles density-functional study |
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Chin. Phys. B
2014 Vol.23 (8): 86802-086802
[Abstract]
(745)
[HTML 1 KB]
[PDF 799 KB]
(405)
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77301 |
Tang Fu-Ling (汤富领), Liu Ran (刘冉), Xue Hong-Tao (薛红涛), Lu Wen-Jiang (路文江), Feng Yu-Dong (冯煜东), Rui Zhi-Yuan (芮执元), Huang Min (黄敏) |
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Lattice structures and electronic properties of CIGS/CdS interface：First-principles calculations |
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Chin. Phys. B
2014 Vol.23 (7): 77301-077301
[Abstract]
(546)
[HTML 1 KB]
[PDF 763 KB]
(1281)
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63601 |
Zhu Lu-Shan (朱露珊), Zhao Shi-Jin (赵世金) |
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Influence of Ni on Cu precipitation in Fe–Cu–Ni ternary alloy by an atomic study |
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Chin. Phys. B
2014 Vol.23 (6): 63601-063601
[Abstract]
(590)
[HTML 1 KB]
[PDF 1455 KB]
(585)
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38103 |
Shang Jun (尚军), Gao Yuan (高远), Hao Wei-Chang (郝维昌), Jing Xi (井溪), Xin Hui-Ju (信会菊), Wang Liang (王亮), Feng Hai-Feng (冯海凤), Wang Tian-Min (王天民) |
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Enhancing visible-light photocatalytic activity of α-Bi2O3 via non-metal N and S doping |
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Chin. Phys. B
2014 Vol.23 (3): 38103-038103
[Abstract]
(652)
[HTML 1 KB]
[PDF 920 KB]
(593)
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37401 |
Ming Xing (明星), Xiong Liang-Bin (熊良斌), Xu Huo-Xi (徐火希), Du Fei (杜菲), Wang Chun-Zhong (王春忠), Chen Gang (陈岗) |
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First-principles study of orbital ordering in cubic fluoride KCrF3 |
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Chin. Phys. B
2014 Vol.23 (3): 37401-037401
[Abstract]
(743)
[HTML 1 KB]
[PDF 375 KB]
(516)
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20702 |
Zhang Xiao-Hu (张小虎), Li Ming (黎明), Wang Yan-Ting (王延颋), Ouyang Zhong-Can (欧阳钟灿) |
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Formation and dissociation of protonated cytosine–cytosine base pairs in i-motifs by ab initio quantum chemical calculations |
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Chin. Phys. B
2014 Vol.23 (2): 20702-020702
[Abstract]
(689)
[HTML 1 KB]
[PDF 646 KB]
(553)
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18103 |
Wang Hong-Bo (王洪博), Su Yan (苏燕), Chen Gang (陈刚) |
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First-principles investigation of chemical modification on two-dimensional iron–phthalocyanine sheet |
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Chin. Phys. B
2014 Vol.23 (1): 18103-018103
[Abstract]
(600)
[HTML 1 KB]
[PDF 851 KB]
(431)
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17301 |
Zhang Min (张敏), Shi Jun-Jie (史俊杰) |
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Electronic structure and magnetic properties of substitutional transition-metal atoms in GaN nanotubes |
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Chin. Phys. B
2014 Vol.23 (1): 17301-017301
[Abstract]
(629)
[HTML 1 KB]
[PDF 540 KB]
(690)
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17103 |
Zhang Jian-Min (张建民), Song Wan-Ting (宋婉婷), Li Huan-Huan (李欢欢), Xu Ke-Wei (徐可为), Ji Vincent |
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Effects of the 3d transition metal doping on the structural, electronic, and magnetic properties of BeO nanotubes |
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Chin. Phys. B
2014 Vol.23 (1): 17103-017103
[Abstract]
(711)
[HTML 1 KB]
[PDF 421 KB]
(468)
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17401 |
Zhao Zong-Yan (赵宗彦), Yi Juan (易娟), Zhou Da-Cheng (周大成) |
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Electronic structures of halogen-doped Cu2O based on DFT calculations |
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Chin. Phys. B
2014 Vol.23 (1): 17401-017401
[Abstract]
(506)
[HTML 1 KB]
[PDF 521 KB]
(764)
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16801 |
Zhang Zhao-Fu (张召富), Zhou Tie-Ge (周铁戈), Zhao Hai-Yang (赵海洋), Wei Xiang-Lei (卫湘蕾) |
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First-principles calculations of 5d atoms doped hexagonal-AlN sheets：Geometry, magnetic property and the influence of symmetry and symmetry-breaking on the electronic structure |
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Chin. Phys. B
2014 Vol.23 (1): 16801-016801
[Abstract]
(659)
[HTML 1 KB]
[PDF 834 KB]
(808)
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127101 |
Zhang Yong (张勇), Qi Yue-Ying (祁月盈), Hu Ya-Hua (胡亚华), Liang Pei (梁培) |
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Defect-induced ferromagnetism in rutile TiO2：A first-principles study |
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Chin. Phys. B
2013 Vol.22 (12): 127101-127101
[Abstract]
(557)
[HTML 1 KB]
[PDF 377 KB]
(601)
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103101 |
Victor Wei-Keh Chao(Wu) |
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Translational, vibrational, rotational enhancements and alignments of reactions H+ClF (v=0–5, j=0, 3, 6, 9) →HCl+F and HF+Cl,at Erel=0.5–20 kcal/mol |
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Chin. Phys. B
2013 Vol.22 (10): 103101-103101
[Abstract]
(608)
[HTML 1 KB]
[PDF 1721 KB]
(455)
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117502 |
Lei Tian-Min (雷天民), Liu Jia-Jia (刘佳佳), Zhang Yu-Ming (张玉明), Guo Hui (郭辉), Zhang Zhi-Yong (张志勇) |
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A quantum explanation of the magnetic properties of Mn-doped graphene |
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Chin. Phys. B
2013 Vol.22 (11): 117502-117502
[Abstract]
(917)
[HTML 1 KB]
[PDF 899 KB]
(930)
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116104 |
Zhang Gang-Tai (张刚台), Bai Ting-Ting (白婷婷), Zhao Ya-Ru (赵亚儒), Lu Cheng (卢成) |
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Ground-state structure determination and mechanical properties of palladium seminitride |
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Chin. Phys. B
2013 Vol.22 (11): 116104-116104
[Abstract]
(545)
[HTML 1 KB]
[PDF 409 KB]
(618)
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107102 |
Hao Ai-Min (郝爱民), Bai Jing (白静) |
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First-principles calculations of electronic and magnetic properties of CeN：The LDA+U method |
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Chin. Phys. B
2013 Vol.22 (10): 107102-107102
[Abstract]
(595)
[HTML 1 KB]
[PDF 217 KB]
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103402 |
Zhou Man (周满), Zou Xian-Rong (邹贤容), Zhao Lei (赵磊), Chen Xi-Meng (陈熙萌), Wang Shi-Yao (王诗尧), Zhou Wang (周旺), Shao Jian-Xiong (邵剑雄) |
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Multiple ionization of atoms and molecules impacted by very high-q fast projectiles in the strong coupling regime (q/v >1) |
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Chin. Phys. B
2013 Vol.22 (10): 103402-103402
[Abstract]
(568)
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[PDF 343 KB]
(457)
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90310 |
Cao Xing-Xin (曹兴鑫), Zhuang Jun (庄军), Ning Xi-Jing (宁西京), Zhang Wen-Xian (张文献) |
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Accelerating an adiabatic process by nonlinear sweeping |
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Chin. Phys. B
2013 Vol.22 (9): 90310-090310
[Abstract]
(592)
[HTML 1 KB]
[PDF 625 KB]
(377)
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86301 |
Wang Hui (王翚) |
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Vibrational properties of cagelike diamondoid nitrogen at high pressure |
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Chin. Phys. B
2013 Vol.22 (8): 86301-086301
[Abstract]
(769)
[HTML 1 KB]
[PDF 1137 KB]
(441)
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76104 |
Zhou Hong-Bo (周洪波), Jin Shuo (金硕) |
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Towards understanding carbon trapping mechanism in copper by investigating the carbon-vacancy interaction |
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Chin. Phys. B
2013 Vol.22 (7): 76104-076104
[Abstract]
(643)
[HTML 1 KB]
[PDF 445 KB]
(757)
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57102 |
Kong Bo (孔博), Zhou Zhu-Wen (周筑文), Chen De-Liang (陈德良), Ling-hu Rong-Feng (令狐荣锋) |
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Structures and phase transitions of ScH3 under high pressure |
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Chin. Phys. B
2013 Vol.22 (5): 57102-057102
[Abstract]
(624)
[HTML 1 KB]
[PDF 276 KB]
(654)
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57303 |
Pei Yang (裴洋), Wu Hai-Bin (武海斌) |
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Optimized geometry and electronic structure of graphyne-like silicyne nanoribbons |
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Chin. Phys. B
2013 Vol.22 (5): 57303-057303
[Abstract]
(683)
[HTML 1 KB]
[PDF 653 KB]
(1211)
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53403 |
Zhang Yuan-Yue (张远月), Shao Tian-Min (邵天敏), Su Kang (苏康) |
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First-principles study of electronic properties of interfacial atoms in metal-metal contact electrification |
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Chin. Phys. B
2013 Vol.22 (5): 53403-053403
[Abstract]
(703)
[HTML 1 KB]
[PDF 538 KB]
(452)
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47506 |
Song Zhe-Wen (宋哲文), Liu Bang-Gui (刘邦贵) |
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Electronic structure and magnetic and optical properties of double perovskite Bi2FeCrO6 from first-principles investigation |
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Chin. Phys. B
2013 Vol.22 (4): 47506-047506
[Abstract]
(666)
[HTML 1 KB]
[PDF 1638 KB]
(1116)
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46202 |
Haci Ozisik, Engin Deligoz, Kemal Colakoglu, Gokhan Surucu |
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Structural and mechanical stability of rare-earth diborides |
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Chin. Phys. B
2013 Vol.22 (4): 46202-046202
[Abstract]
(669)
[HTML 1 KB]
[PDF 207 KB]
(1247)
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46201 |
Cheng Gang (承刚), Liu Peng-Fei (刘鹏飞), Li Zi-Tao (李子涛) |
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Influence of strain and electric field on the properties of silicane |
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Chin. Phys. B
2013 Vol.22 (4): 46201-046201
[Abstract]
(642)
[HTML 1 KB]
[PDF 288 KB]
(772)
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37101 |
Li Qiang (李强), Huang Duo-Hui (黄多辉), Cao Qi-Long (曹启龙), Wang Fan-Hou (王藩侯) |
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Phase transition and thermodynamic properties of BiFeO3 from first-principles calculations |
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Chin. Phys. B
2013 Vol.22 (3): 37101-037101
[Abstract]
(726)
[HTML 0 KB]
[PDF 432 KB]
(1853)
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27101 |
Yu Xiao-Xiang (于潇翔), Wang Chong-Yu (王崇愚) |
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Multiscale simulations in face-centered cubic metals: A method coupling quantum mechanics and molecular mechanics |
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Chin. Phys. B
2013 Vol.22 (2): 27101-027101
[Abstract]
(821)
[HTML 1 KB]
[PDF 4027 KB]
(664)
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16601 |
Zhang Wei (张炜), Chen Wen-Zhou (陈文周), Sun Jiu-Yu (孙久雨), Jiang Zhen-Yi (姜振益) |
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Theoretical prediction of ion conductivity in solid state HfO2 |
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Chin. Phys. B
2013 Vol.22 (1): 16601-016601
[Abstract]
(859)
[HTML 0 KB]
[PDF 520 KB]
(1575)
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16802 |
He Man-Chao (何满潮), Zhao Jian (赵健) |
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Methane adsorption on graphite(0001) films: a first-principles study |
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Chin. Phys. B
2013 Vol.22 (1): 16802-016802
[Abstract]
(990)
[HTML 0 KB]
[PDF 295 KB]
(858)
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128202 |
Xin Xiao-Gui (忻晓桂), Shen Jing-Qin (沈静琴), Shi Si-Qi (施思齐) |
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Structural and magnetic properties of LiNi0.5Mn1.5O4 and LiNi0.5Mn1.5O4-δ spinels: A first-principles study |
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Chin. Phys. B
2012 Vol.21 (12): 128202-128202
[Abstract]
(1198)
[HTML 1 KB]
[PDF 879 KB]
(1965)
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123101 |
Jiao Zhao-Yong (焦照勇), Guo Yong-Liang (郭永亮), Zhang Xian-Zhou (张现周), Ma Shu-Hong (马淑红) |
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First-principles study of the electronic structure and optical properties of defect chalcopyrite CdGa2Te4 |
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Chin. Phys. B
2012 Vol.21 (12): 123101-123101
[Abstract]
(1171)
[HTML 1 KB]
[PDF 741 KB]
(1324)
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103101 |
Wu Nan-Nan (吴楠楠), Li Zuo-Wei (里佐威), Liu Jing-Yao (刘靖尧), Ou Yang Shun-Li (欧阳顺利) |
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Effects of the structural order of canthaxanthin on the Raman scattering cross section in various solvents: A study by Raman spectroscopy and ab initio calculation |
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Chin. Phys. B
2012 Vol.21 (10): 103101-103101
[Abstract]
(1190)
[HTML 1 KB]
[PDF 853 KB]
(694)
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106301 |
E. Deligoz, K. Colakoglu, Y. O. Ciftci |
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Lattice dynamical and thermodynamical properties of ReB2, RuB2, and OsB2 compounds in the ReB2 structure |
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Chin. Phys. B
2012 Vol.21 (10): 106301-106301
[Abstract]
(1084)
[HTML 1 KB]
[PDF 1571 KB]
(1096)
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106103 |
Gao Jin-Yun (高进云), Zhang Qing-Li (张庆礼), Yang Hua-Jun (杨华军), Zhou Peng-Yu (周鹏宇), Sun Dun-Lu (孙敦陆), Yin Shao-Tang (殷绍唐), He Ye (何晔) |
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Structural analysis and crystal-field calculations of Nd3+ in GdxLu1-xTaO4 (x=0.85) polycrytalline |
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Chin. Phys. B
2012 Vol.21 (10): 106103-106103
[Abstract]
(1232)
[HTML 1 KB]
[PDF 298 KB]
(641)
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93103 |
Xu Zeng-Hui (许增慧), Zong Fu-Jian (宗福建), Han Bo-Ran (韩博然), Dong Shao-Hua (董少华), Liu Jian-Qiang (刘建强), Ji Feng (计峰) |
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3P) + H2(ν = 0, 3, j = 0, 3, 5, 7, 9, 12, 15) → OH + H[J]. Chinese Physics B, 2012,21(9): 93103-093103")'/>
Effects of reagent's rotational and vibrational excitations on reaction O(3P) + H2(ν = 0, 3, j = 0, 3, 5, 7, 9, 12, 15) → OH + H |
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Chin. Phys. B
2012 Vol.21 (9): 93103-093103
[Abstract]
(1233)
[HTML 1 KB]
[PDF 1486 KB]
(664)
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98201 |
Liu Yu-Fang (刘玉芳), Liu Yan-Lei (刘彦磊), Liang Bin (梁斌) |
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Dynamics of reaction of O with H2 and its isotopic variants in different rotational excited states |
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Chin. Phys. B
2012 Vol.21 (9): 98201-098201
[Abstract]
(1194)
[HTML 1 KB]
[PDF 717 KB]
(522)
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97501 |
M. Bhihi, M. Lakhal, H. Labrim, A. Benyoussef, A. El Kenz, O. Mounkachi, E. K. Hlil |
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Hydrogen storage of Mg1-xMxH2 (M=Ti, V, Fe) studied using first-principles calculations |
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Chin. Phys. B
2012 Vol.21 (9): 97501-097501
[Abstract]
(1391)
[HTML 1 KB]
[PDF 1354 KB]
(1006)
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97401 |
Xu Gui-Gui (许桂贵), Wu Jing (吴景), Chen Zhi-Gao (陈志高), Lin Ying-Bin (林应斌), Huang Zhi-Gao (黄志高) |
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Effect of C doping on the structural and electronic properties of LiFePO4: A first-principles investigation |
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Chin. Phys. B
2012 Vol.21 (9): 97401-097401
[Abstract]
(1534)
[HTML 1 KB]
[PDF 811 KB]
(954)
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97502 |
Dong Shan (董珊), Zhu Feng (朱峰) |
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Electron-mediated ferromagnetism in Fe-doped InP: Theory and experiment |
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Chin. Phys. B
2012 Vol.21 (9): 97502-097502
[Abstract]
(1292)
[HTML 1 KB]
[PDF 326 KB]
(980)
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56601 |
Chen Ru-Cheng(陈汝承), Yang Li(杨莉), Dai Yun-Ya(代云雅), Zhu Zi-Qiang(朱自强), Peng Shu-Ming(彭述明), Long Xing-Gui(龙兴贵), Gao Fei(高飞), and Zu Xiao-Tao(祖小涛) |
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Ab initio study of H and He migrations in β-phase Sc, Y, and Er hydrides |
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Chin. Phys. B
2012 Vol.21 (5): 56601-056601
[Abstract]
(1524)
[HTML 1 KB]
[PDF 1240 KB]
(562)
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36801 |
Zhang Yu-Yang(张余洋), Du Shi-Xuan(杜世萱), and Gao Hong-Jun(高鸿钧) |
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Electronic structures and vibrational properties of coronene on Ru(0001): first-principles study |
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Chin. Phys. B
2012 Vol.21 (3): 36801-036801
[Abstract]
(1012)
[HTML 1 KB]
[PDF 333 KB]
(1233)
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33103 |
Lin Yan-Ming(林彦明), Jiang Zhen-Yi(姜振益), Hu Xiao-Yun(胡晓云), Zhang Xiao-Dong(张小东), Fan Jun(樊君), Miao Hui(苗慧), and Shang Yi-Bo(商毅博) |
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First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst |
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Chin. Phys. B
2012 Vol.21 (3): 33103-033103
[Abstract]
(1279)
[HTML 1 KB]
[PDF 439 KB]
(1227)
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47101 |
Havva Bogaz Ozisik, Kemal Colakoglu, Engin Deligoz, and Haci Ozisik |
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The stabilities, electronic structures and elastic properties of Rb–As systems |
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Chin. Phys. B
2012 Vol.21 (4): 47101-047101
[Abstract]
(1192)
[HTML 1 KB]
[PDF 633 KB]
(1087)
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16801 |
Hu Zi-Yu(胡自玉), Yang Yu(杨宇), Sun Bo(孙博), Zhang Ping(张平), Wang Wen-Chuan(汪文川), and Shao Xiao-Hong(邵晓红) |
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Dissociations of O2 molecules on ultrathin Pb(111) films: first-principles plane wave calculations |
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Chin. Phys. B
2012 Vol.21 (1): 16801-016801
[Abstract]
(1335)
[HTML 1 KB]
[PDF 1410 KB]
(757)
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16202 |
Liu Zeng-Hui(刘增辉) and Shang Jia-Xiang (尚家香) |
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Elastic properties of Nb-based alloys by using the density functional theory |
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Chin. Phys. B
2012 Vol.21 (1): 16202-016202
[Abstract]
(1275)
[HTML 1 KB]
[PDF 219 KB]
(2276)
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97201 |
Yang Mou(杨谋), Ran Xian-Jian(冉先进), Cui Yan(崔岩) and Wang Rui-Qiang(王瑞强) |
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An easy and efficient way to treat Green's function for nano-devices with arbitrary shapes and multi-terminal configurations |
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Chin. Phys. B
2011 Vol.20 (9): 97201-097201
[Abstract]
(1318)
[HTML 0 KB]
[PDF 1705 KB]
(1098)
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97102 |
Wang Guang-Tao(王广涛), Zhang Min-Ping(张敏平), and Zheng Li-Hua(郑立花) |
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Electron-correlation-induced band renormalization and Mott transition in Ca1-xSrxVO3 |
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Chin. Phys. B
2011 Vol.20 (9): 97102-097102
[Abstract]
(1370)
[HTML 0 KB]
[PDF 175 KB]
(792)
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87504 |
N. Mamouni, M. Belaiche, A. Benyoussef, A. El Kenz, H. Ez-Zahraouy, M. Loulidi, E. H. Saidi and E. K. Hlil |
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Electronic and magnetic structures of V-doped zinc blende Zn1-xVxNyO1-y and Zn1-xVxPyO1-y |
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Chin. Phys. B
2011 Vol.20 (8): 87504-087504
[Abstract]
(1665)
[HTML 1 KB]
[PDF 1881 KB]
(937)
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77103 |
Zhu Feng(朱峰), Dong Shan(董珊), and Cheng Gang(承刚) |
| |
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MgO-decorated carbon nanotubes for CO2 adsorption: first principles calculations |
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Chin. Phys. B
2011 Vol.20 (7): 77103-077103
[Abstract]
(1428)
[HTML 0 KB]
[PDF 974 KB]
(1218)
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77101 |
Liu Jun(刘俊), Zhan Rui(詹瑞), Li Li(李丽), and Dong Hui-Ning(董会宁) |
| |
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Magnetic properties of several potential rocksalt half-metallic ferromagnets based on the first-principles calculations |
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Chin. Phys. B
2011 Vol.20 (7): 77101-077101
[Abstract]
(1462)
[HTML 1 KB]
[PDF 1467 KB]
(740)
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63104 |
Xu Zeng-Hui(许增慧) and Zong Fu-Jian(宗福建) |
| |
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Theoretical study of stereodynamics for the reaction O(3P) +D2 (v=0, j=0) $\to$ OD+D and isotope effect |
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Chin. Phys. B
2011 Vol.20 (6): 63104-063104
[Abstract]
(1493)
[HTML 1 KB]
[PDF 2701 KB]
(695)
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57101 |
Tan Xing-Yi (谭兴毅), Chen Chang-Le (陈长乐), Jin Ke-Xin (金克新), Cao Xian-Sheng (曹先胜), Xing Hui (邢辉) |
| |
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Magnetic properties of Co-doped SnO: first-principles calculations |
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Chin. Phys. B
2011 Vol.20 (5): 57101-057101
[Abstract]
(1323)
[HTML 0 KB]
[PDF 2949 KB]
(1161)
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47103 |
Hao Ai-Min(郝爱民), Zhou Tie-Jun(周铁军), Zhu Yan(朱岩), Zhang Xin-Yu(张新宇), and Liu Ri-Ping(刘日平) |
| |
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First-principles investigation of the electronic, elastic and thermodynamic properties of VC under high pressure |
| |
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Chin. Phys. B
2011 Vol.20 (4): 47103-047103
[Abstract]
(1528)
[HTML 1 KB]
[PDF 255 KB]
(1047)
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47102 |
Zhang Liang(张良), Ji Guang-Fu(姬广富), Zhao Feng(赵峰), and Gong Zi-Zheng(龚自正) |
| |
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First-principles study of the structural, mechanical and electronic properties of ZnX2O4 (X=Al, Cr and Ga) |
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Chin. Phys. B
2011 Vol.20 (4): 47102-047102
[Abstract]
(1533)
[HTML 1 KB]
[PDF 384 KB]
(1747)
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43103 |
Duan He(段鹤), Dong You-Zhong(董有忠), Huang Yan(黄燕), and Chen Xiao-Shuang(陈效双) |
| |
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Abnormal physics of group-II telluride system: valence contribution of d electrons |
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Chin. Phys. B
2011 Vol.20 (4): 43103-043103
[Abstract]
(1350)
[HTML 1 KB]
[PDF 1691 KB]
(897)
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38801 |
Liu Gui-Li(刘贵立), Zhang Guo-Ying(张国英), Zhang Hui(张辉), and Zhu Sheng-Long(朱圣龙) |
| |
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The role of vacancy, impurity, impurity–vacancy complex in the kinetics of LiNH2 complex hydrides: a first-principles study |
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Chin. Phys. B
2011 Vol.20 (3): 38801-038801
[Abstract]
(1415)
[HTML 0 KB]
[PDF 319 KB]
(701)
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33103 |
Cheng Cheng(程诚), Gao Xiang(高翔), Qing Bo(青波), Zhang Xiao-Le(张小乐), and Li Jia-Ming(李家明) |
| |
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Relativistic calculations of 3s2 1S0–3s3p 1P1 and 3s2 1S0–3s3p 3P1,2 transition probabilities in the Mg isoelectronic sequence |
| |
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Chin. Phys. B
2011 Vol.20 (3): 33103-033103
[Abstract]
(1452)
[HTML 1 KB]
[PDF 224 KB]
(795)
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26101 |
Li Wei(李炜), Chen Jun-Fang(陈俊芳), He Qin-Yu(何琴玉), Wang Teng(王腾), and Pan Zhong-Liang(潘中良) |
| |
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Structural transition of FeSe under high pressure |
| |
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Chin. Phys. B
2011 Vol.20 (2): 26101-026101
[Abstract]
(1472)
[HTML 1 KB]
[PDF 185 KB]
(926)
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20513 |
Wang Xiao-Chun(王晓春), Zhao Han-Yue(赵寒月), Chen Nan-Xian(陈难先), and Zhang Yong(张勇) |
| |
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Tuning of the periodicity of stable self-organized metallic templates |
| |
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Chin. Phys. B
2011 Vol.20 (2): 20513-020513
[Abstract]
(1329)
[HTML 1 KB]
[PDF 3016 KB]
(827)
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106102 |
Ni Li-Hong(倪利红), Liu Yong(刘涌), Ren Zhao-Hui(任召辉), Song Chen-Lu(宋晨路), and Han Gao-Rong(韩高荣) |
| |
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Strain-induced ferroelectric phase transitions in incipient ferroelectric rutile TiO2 |
| |
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Chin. Phys. B
2011 Vol.20 (10): 106102-106102
[Abstract]
(1521)
[HTML 1 KB]
[PDF 990 KB]
(931)
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18201 |
Lin Zhi-Ping(林志萍), Zhao Yan-Ming(赵彦明), and Zhao Yu-Jun(赵宇军) |
| |
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First-principles studies of Mn-doped LiCoPO4 |
| |
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Chin. Phys. B
2011 Vol.20 (1): 18201-018201
[Abstract]
(1594)
[HTML 1 KB]
[PDF 363 KB]
(1389)
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97809 |
Sun Jia-Tao(孙家涛), Pan Li-Da(潘理达), Hu Hao(胡昊), Du Shi-Xuan(杜世萱), and Gao Hong-Jun(高鸿钧) |
| |
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Role of buffer layer in electronic structures of iron phthalocyanine molecules on Au(111) |
| |
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Chin. Phys. B
2010 Vol.19 (9): 97809-097809
[Abstract]
(1525)
[HTML 1 KB]
[PDF 1876 KB]
(646)
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77103 |
Ding Jian-Ning(丁建宁), Wang Jun-Xiong(王君雄), Yuan Ning-Yi(袁宁一), Kan Biao(坎标), and Chen Xiao-Shuang(陈效双) |
| |
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Electronic band transformation from indirect gap to direct gap in Si—H compound |
| |
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Chin. Phys. B
2010 Vol.19 (7): 77103-077103
[Abstract]
(1436)
[HTML 1 KB]
[PDF 608 KB]
(848)
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48601 |
Zhang Hui(张辉), Liu Gui-Li(刘贵立), Qi Ke-Zhen(戚克振), Zhang Guo-Ying(张国英), Xiao Ming-Zhu(肖明珠), and Zhu Sheng-Long(朱圣龙) |
| |
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A first-principles study of the catalytic mechanism of the dehydriding reaction of LiNH2 through adding Ti catalysts |
| |
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Chin. Phys. B
2010 Vol.19 (4): 48601-048601
[Abstract]
(1184)
[HTML 1 KB]
[PDF 588 KB]
(631)
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123602 |
Zhang Shu-Dong(张树东), Zhang Hai-Fang(张海芳), and Tzeng Wen-Bi(曾文碧) |
| |
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Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations |
| |
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Chin. Phys. B
2010 Vol.19 (12): 123602-123602
[Abstract]
(1706)
[HTML 1 KB]
[PDF 231 KB]
(733)
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123101 |
Ouyang Shun-Li(欧阳顺利), Wu Nan-Nan(吴楠楠), Liu Jing-Yao(刘靖尧),Sun Cheng-Lin(孙成林), Li Zuo-Wei(里佐威), and Gao Shu-Qin(高淑琴) |
| |
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Investigation of hydrogen bonding in neat dimethyl sulfoxide and binary mixture (dimethyl sulfoxide + water) by concentration-dependent Raman study and ab initio calculation |
| |
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Chin. Phys. B
2010 Vol.19 (12): 123101-123101
[Abstract]
(1583)
[HTML 1 KB]
[PDF 1354 KB]
(2051)
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17301 |
Deng Yong-He(邓永和) |
| |
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Effects of O defects on adsorption of small Ag clusters on a MgO(001) surface |
| |
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Chin. Phys. B
2010 Vol.19 (1): 17301-017301
[Abstract]
(1400)
[HTML 1 KB]
[PDF 504 KB]
(651)
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13101 |
Huang Gui-Yang(黄贵洋), Wang Chong-Yu(王崇愚), and Wang Jian-Tao(王建涛) |
| |
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First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO |
| |
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Chin. Phys. B
2010 Vol.19 (1): 13101-013101
[Abstract]
(1936)
[HTML 1 KB]
[PDF 530 KB]
(931)
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3865 |
Liu Ye-Chao(刘业超), Zhang Shu-Dong(张树东), Zhang Ming-Xia(张明霞), Sun Miao(孙淼), and Kong Xiang-He(孔祥和) |
| |
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One-colour resonant two-photon ionization spectrum of the 1-fluoronaphthalene dimer and ab initio calculation |
| |
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Chin. Phys. B
2009 Vol.18 (9): 3865-3869
[Abstract]
(1589)
[HTML 1 KB]
[PDF 475 KB]
(683)
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3183 |
Hu Xiao-Hong(胡晓鸿), Zhao Wei(赵卫), Gong Yong-Kang(宫永康), Wang Lei-Ran(王擂然), Lu Ke-Qing(卢克清), and Liu Xue-Ming(刘雪明) |
| |
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Mode field diameter and nonlinear properties of air-core nanowires |
| |
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Chin. Phys. B
2009 Vol.18 (8): 3183-3188
[Abstract]
(1634)
[HTML 1 KB]
[PDF 212 KB]
(680)
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3008 |
Sun Jia-Tao(孙家涛), Du Shi-Xuan(杜世萱), Xiao Wen-De(肖文德), Hu Hao(胡昊), Zhang Yu-Yang(张余洋), Li Guo(李果), and Gao Hong-Jun(高鸿钧) |
| |
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Effect of strain on geometric and electronic structures of graphene on Ru(0001) surface |
| |
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Chin. Phys. B
2009 Vol.18 (7): 3008-3013
[Abstract]
(1830)
[HTML 1 KB]
[PDF 3240 KB]
(903)
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2764 |
Zhang Qing-Sheng(张庆生), ü Xiao-Xu(吕晓旭), Yu Qing-Ting(余清婷), and Liu Gan-Yong(刘赣勇) |
| |
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A new method of aperture synthetizing in digital holography |
| |
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Chin. Phys. B
2009 Vol.18 (7): 2764-2768
[Abstract]
(1547)
[HTML 0 KB]
[PDF 1155 KB]
(854)
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2551 |
Shen Jing-Qin(沈静琴), Shi Si-Qi(施思齐), Ouyang Chu-Ying(欧阳楚英), Lei Min-Sheng(雷敏生), and Tang Wei-Hua(唐为华) |
| |
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First-principles investigation of the electronic structure and magnetism of eskolaite |
| |
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Chin. Phys. B
2009 Vol.18 (6): 2551-2556
[Abstract]
(1584)
[HTML 1 KB]
[PDF 287 KB]
(988)
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1968 |
Wang Xing-Rong(王兴荣) and Zheng Hao-Ping(郑浩平) |
| |
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Simulation of water potential for the electronic structure of serine |
| |
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Chin. Phys. B
2009 Vol.18 (5): 1968-1978
[Abstract]
(1265)
[HTML 1 KB]
[PDF 352 KB]
(576)
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1436 |
Feng Cui-Ju(冯翠菊), Xue Yong-Hong(薛永红), Zhang Xiao-Yan(张晓燕), and Zhang Xiao-Chun(张晓春) |
| |
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Structures, stabilities and magnetic moment of small copper-nickel clusters |
| |
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Chin. Phys. B
2009 Vol.18 (4): 1436-1442
[Abstract]
(1581)
[HTML 1 KB]
[PDF 1235 KB]
(936)
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1248 |
Wang Chun-Lei(王春雷), Yu Ben-Hai(余本海), Huo Hai-Liang(霍海亮), Chen Dong(陈东), and Sun Hai-Bin(孙海斌) |
| |
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First principle study on the elastic and thermodynamic properties of TiB2 crystal under high temperature |
| |
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Chin. Phys. B
2009 Vol.18 (3): 1248-1252
[Abstract]
(1068)
[HTML 1 KB]
[PDF 459 KB]
(928)
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1194 |
Ni Guang-Xin(倪广鑫) and Wang Yuan-Xu(王渊旭) |
| |
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First-principles study of the (001) surface of cubic PbHfO3 and BaHfO3 |
| |
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Chin. Phys. B
2009 Vol.18 (3): 1194-1200
[Abstract]
(1165)
[HTML 0 KB]
[PDF 297 KB]
(1031)
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4955 |
Wen Yu-Hua(文玉华),Zhang Yang(张杨), Zhu Zi-Zhong(朱梓忠), and Sun Shi-Gang(孙世刚) |
| |
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Surface energetic and bonding characteristics of tetrahexahedral platinum nanocrystals enclosed by high-index facets |
| |
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Chin. Phys. B
2009 Vol.18 (11): 4955-4959
[Abstract]
(1756)
[HTML 1 KB]
[PDF 652 KB]
(722)
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4418 |
Shi Li-Bin(史力斌), Kang Li(康莉), Jin Jian-Wei(金健维), and Chi Feng(迟锋) |
| |
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Lattice strain and p-d repulsion affecting electronic structure of wurtzite Zn1-xCdxO alloys |
| |
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Chin. Phys. B
2009 Vol.18 (10): 4418-4424
[Abstract]
(1865)
[HTML 1 KB]
[PDF 1027 KB]
(883)
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3484 |
Li Ping-Lin(李平林), Wang Yong-Yong(王永永), Tian Yong-Tao(田永涛), Wang Jing(汪静), Niu Xiao-Li(牛晓丽), Wang Jun-Xi(王俊喜), Wang Dan-Dan(王单丹), and Wang Xiao-Xia(王晓霞) |
| |
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Superconductivity without dependence on valenceelectron density in Zn doped YBCO systems |
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Chin. Phys. B
2008 Vol.17 (9): 3484-3489
[Abstract]
(1474)
[HTML 0 KB]
[PDF 393 KB]
(569)
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3433 |
Yang Yu-Rong(杨玉荣), Yan Xiao-Hong(颜晓红), Guo Zhao-Hui(郭朝晖), and Deng Yu-Xiang(邓宇翔) |
| |
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Common electronic band gaps and similar optical properties of ZnO nanotubes |
| |
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Chin. Phys. B
2008 Vol.17 (9): 3433-3437
[Abstract]
(1464)
[HTML 1 KB]
[PDF 188 KB]
(720)
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2701 |
Chen Zhi-De(陈芝得) and Hou Zhi-Lan(侯志兰) |
| |
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A note on localized transition in the spin-boson model by variational calculation |
| |
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Chin. Phys. B
2008 Vol.17 (7): 2701-2706
[Abstract]
(1361)
[HTML 1 KB]
[PDF 190 KB]
(521)
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2655 |
Shi Si-Qi(施思齐), Tanaka Shingo (田中真悟), and Kohyama Masanori(香山正憲) |
| |
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Effect of the stoichiometry on the electronic structure of the Ni(111)/$\alpha$-Al2O3(0001) interface: a first-principles investigation |
| |
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Chin. Phys. B
2008 Vol.17 (7): 2655-2661
[Abstract]
(1287)
[HTML 1 KB]
[PDF 265 KB]
(723)
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2097 |
Yu Chun-Ri(余春日) |
| |
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Close coupling calculations for excitation partial cross sections in Ne--HF collisions |
| |
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Chin. Phys. B
2008 Vol.17 (6): 2097-2102
[Abstract]
(1442)
[HTML 1 KB]
[PDF 215 KB]
(636)
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1371 |
Liu Xue-Chao(刘学超), Zhang Hua-Wei(张华伟), Zhang Tao(张涛), Chen Bo-Yuan(陈博源), Chen Zhi-Zhan(陈之战), Song Li-Xin(宋力昕), and Shi Er-Wei(施尔畏) |
| |
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Magnetic properties of Mn-doped ZnO diluted magnetic semiconductors |
| |
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Chin. Phys. B
2008 Vol.17 (4): 1371-1376
[Abstract]
(1484)
[HTML 1 KB]
[PDF 1216 KB]
(964)
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1364 |
Sun Bo(孙博) and Zhang Ping(张平) |
| |
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First-principles local density approximation (LDA)+U and generalized gradient approximation (GGA)+U studies of plutonium oxides |
| |
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Chin. Phys. B
2008 Vol.17 (4): 1364-1370
[Abstract]
(1557)
[HTML 1 KB]
[PDF 1133 KB]
(989)
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655 |
Tang Jin-Long(唐金龙), Zhu Jun(朱俊), Qin Wen-Feng(秦文峰),Xiong Jie(熊杰), and Li Yan-Rong(李言荣) |
| |
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Ab initio study of oxygen-vacancy LaAlO2(001) surface |
| |
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Chin. Phys. B
2008 Vol.17 (2): 655-661
[Abstract]
(1330)
[HTML 0 KB]
[PDF 219 KB]
(642)
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3856 |
Ma Shang-Yi(马尚义) and Wang Shao-Qing(王绍青) |
| |
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Characterization of Ag adsorption on TiC(001) substrate: an ab initio study |
| |
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Chin. Phys. B
2008 Vol.17 (10): 3856-3866
[Abstract]
(1263)
[HTML 1 KB]
[PDF 1288 KB]
(590)
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286 |
Tian Xiao-Qing(田晓庆), Du Shi-Xuan(杜世萱), and Gao Hong-Jun(高鸿钧) |
| |
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Ab initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets |
| |
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Chin. Phys. B
2008 Vol.17 (1): 286-289
[Abstract]
(1549)
[HTML 1 KB]
[PDF 637 KB]
(518)
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2389 |
Wu Xiao-Li(吴晓丽), Yu Kai-Zhi(俞开智), Gou Bing-Cong(苟秉聪), and Zhang Meng(张孟) |
| |
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Calculations on the hyperfine constants of the ground states for lithium-like system |
| |
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Chin. Phys. B
2007 Vol.16 (8): 2389-2393
[Abstract]
(1177)
[HTML 1 KB]
[PDF 124 KB]
(494)
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1952 |
Fan Xian-Hong(范鲜红), Wang Zhi-Gang(王志刚), Yan Bing(闫冰), Pan Shou-Fu(潘守甫), and Chen Bo(陈波) |
| |
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Structure and stability of various states of the EuC and EuC2 molecules |
| |
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Chin. Phys. B
2007 Vol.16 (7): 1952-1955
[Abstract]
(1416)
[HTML 1 KB]
[PDF 213 KB]
(546)
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1429 |
Xie Yao-Ping(谢耀平), Luo Ying(罗莹), and Liu Shao-Jun(刘绍军) |
| |
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First principles calculations of relationship between the Cu surface states and relaxations |
| |
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Chin. Phys. B
2007 Vol.16 (5): 1429-1433
[Abstract]
(1250)
[HTML 0 KB]
[PDF 153 KB]
(573)
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680 |
Liu Yu-Fang(刘玉芳), Sun Jin-Feng(孙金锋), Ma Heng(马恒), and Zhu Zun-Lue(朱遵略) |
| |
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Ab initio calculations on the spectroscopic constants, vibrational levels and classical turning points for the 21$\Pi$u state of dimer 7Li2 |
| |
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Chin. Phys. B
2007 Vol.16 (3): 680-685
[Abstract]
(1521)
[HTML 1 KB]
[PDF 210 KB]
(629)
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223 |
Xia Qing-Lin(夏庆林), Yi Jian-Hong(易健宏), Peng Yuan-Dong(彭元东), Ye Tu-Ming(叶途明), Li Li-Ya(李丽娅), and Wang Hong-Zhong(王红忠) |
| |
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Evolution of soliton-like train in Klein--Gordon lattice system |
| |
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Chin. Phys. B
2007 Vol.16 (1): 223-227
[Abstract]
(1301)
[HTML 1 KB]
[PDF 197 KB]
(477)
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1015 |
Shi De-Heng (施德恒), Liu Yu-Fang (刘玉芳), Sun Jin-Feng (孙金锋), Yang Xiang-Dong (杨向东), Zhu Zun-Lue (朱遵略) |
| |
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Ab initio calculation of accurate dissociation energy, potential energy curve and dipole moment function for the A1∑ + state 7LiH molecule |
| |
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Chin. Phys. B
2006 Vol.15 (5): 1015-1021
[Abstract]
(1902)
[HTML 1 KB]
[PDF 283 KB]
(660)
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798 |
Chen Li-Juan (陈丽娟) |
| |
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Stability and electronic structure of InN nanotubes from first-principles study |
| |
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Chin. Phys. B
2006 Vol.15 (4): 798-801
[Abstract]
(1399)
[HTML 0 KB]
[PDF 218 KB]
(799)
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2928 |
Shi De-Heng(施德恒), Liu Yu-Fang(刘玉芳), Sun Jin-Feng(孙金锋), Zhu Zun-Lüe(朱遵略) and Yang Xiang-Dong(杨向东) |
| |
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Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B1$\Pi$ of 7LiH |
| |
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Chin. Phys. B
2006 Vol.15 (12): 2928-2933
[Abstract]
(1376)
[HTML 1 KB]
[PDF 138 KB]
(552)
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2735 |
Li Dong-Lin(李东临) and Zeng Yi-Ping(曾一平） |
| |
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Self-consistent analysis of double-$\delta$-doped InAlAs/InGaAs/InP HEMTs |
| |
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Chin. Phys. B
2006 Vol.15 (11): 2735-2741
[Abstract]
(1529)
[HTML 1 KB]
[PDF 163 KB]
(712)
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1862 |
Zhang Jian-Min (张建民), Zhang Yan (张研), Xu Ke-Wei (徐可为) |
| |
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Dependence of stresses on grain orientations in BCC polycrystalline films on substrates |
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Chin. Phys. B
2005 Vol.14 (9): 1862-1865
[Abstract]
(1072)
[HTML 1 KB]
[PDF 214 KB]
(417)
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1622 |
Wang Zhi-Gang (王志刚), Zhang Cun-Hua (张存华), Fan Xian-Hong (范鲜红), Pan Shou-Fu (潘守甫), Yan Bing (闫冰), Jin Ming-Xing (金明星) |
| |
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Electronic states of C20 isomers |
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Chin. Phys. B
2005 Vol.14 (8): 1622-1625
[Abstract]
(1041)
[HTML 1 KB]
[PDF 661 KB]
(437)
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1554 |
Zhang Meng (张孟), Gou Bing-Cong (苟秉聪) |
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Relativistic energy, fine structure and hyperfine structure of the low-lying excited states for Be-like system |
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Chin. Phys. B
2005 Vol.14 (8): 1554-1558
[Abstract]
(1214)
[HTML 1 KB]
[PDF 230 KB]
(520)
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1015 |
Zhang Jian-Min (张建民), Wei Xiu-Mei (魏秀梅), Xin Hong (辛红), Xu Ke-Wei (徐可为) |
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Atomic-scale calculation of energies of Cu (001) twist boundaries |
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Chin. Phys. B
2005 Vol.14 (5): 1015-1020
[Abstract]
(1045)
[HTML 1 KB]
[PDF 267 KB]
(715)
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2444 |
Chen Jin-Gen (陈金根), Cai Xiang-Zhou (蔡翔舟), Wang Ting-Tai (王庭太), Ma Yu-Gang (马余刚), Ren Zhong-Zhou (任中洲), Fang De-Qing (方德清), Zhong Chen (钟晨), Wei Yi-Bin (魏义彬), Guo Wei (郭威), Zhou Xing-Fei (周星飞), Wang Kun (王鲲), Ma Guo-Liang (马国亮), Tian Wen-Dong (田文栋), Chen Jin-Hui (陈金辉), Yan Ting-Zhi (颜廷志), Zuo Jia-Xu (左嘉旭), Ma Chun-Wang (马春旺), Shen Wen-Qing (沈文庆) |
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Investigation on the deformation of Ne and Mg isotope chains within relativistic mean-field model |
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Chin. Phys. B
2005 Vol.14 (12): 2444-2450
[Abstract]
(1771)
[HTML 1 KB]
[PDF 308 KB]
(589)
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2106 |
Zhu Zhi-Li (朱志立), Wang Jian-Tao (王建涛), Jia Jin-Feng (贾金锋), Xue Qi-Kun (薛其坤), Wang Ding-Sheng (王鼎盛) |
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Magnetism of Zr atomic wires |
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Chin. Phys. B
2005 Vol.14 (10): 2106-2109
[Abstract]
(1239)
[HTML 1 KB]
[PDF 212 KB]
(469)
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1974 |
Liu Hai-Tao (刘海涛), Li Jia-Ming (李家明) |
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First-principle study of geometries, electronic structures and vibrational spectra of neutral and anionic onion-like [As@Ni12@As20］ |
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Chin. Phys. B
2005 Vol.14 (10): 1974-1983
[Abstract]
(1246)
[HTML 1 KB]
[PDF 325 KB]
(529)
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1082 |
Zhang Jian-Min (张建民), Ma Fei (马飞), Xu Ke-Wei (徐可为) |
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Calculation of the surface energy of fcc metals with modified embedded-atom method |
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Chin. Phys. B
2004 Vol.13 (7): 1082-1090
[Abstract]
(1605)
[HTML 1 KB]
[PDF 143 KB]
(1158)
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1013 |
Yang Xiang-Dong (杨向东), Zhou Xiao-Lin (周晓林), Zhang Ji-Yan (张继彦), Sun Gui-Hua (孙桂华), Zhu Jun (朱俊), |
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Cross sections for rotational excitation in He－H2 collisions |
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Chin. Phys. B
2002 Vol.11 (10): 1013-1017
[Abstract]
(1237)
[HTML 1 KB]
[PDF 211 KB]
(448)
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58 |
Jia Yu (贾瑜), Ma Bing-Xian (马丙现), Yao Qian-Kai (姚乾凯), Tang Ming-Sheng (唐明生) |
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Tight-binding calculation of the electronic states of bulk-terminated GaAs(311)A and B surfaces |
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Chin. Phys. B
2002 Vol.11 (1): 58-65
[Abstract]
(1282)
[HTML 1 KB]
[PDF 781 KB]
(630)
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814 |
Wu Cheng-yin (吴成印), Gong Qi-huang (龚旗煌) |
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FIELD IONIZATION OF MOLECULES IN AN INTENSE LASER FIELD |
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Chin. Phys. B
2001 Vol.10 (9): 814-820
[Abstract]
(1264)
[HTML 1 KB]
[PDF 247 KB]
(836)
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