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Other articles related with "electronic structures"：
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16109 |
Yizhi Wang(王一志), Xiuhua Cui(崔秀花), Jing Liu(刘静), Qun Jing(井群), Haiming Duan(段海明), and Haibin Cao(曹海宾) |
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Geometries and electronic structures of ZrnCu(n =2-12) clusters: A joint machine-learning potential density functional theory investigation |
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Chin. Phys. B
2024 Vol.33 (1): 16109-16109
[Abstract]
(78)
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[PDF 3828 KB]
(26)
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57505 |
Li-Man Xiao(肖丽蔓), Huan-Cheng Yang(杨焕成), and Zhong-Yi Lu(卢仲毅) |
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Prediction of LiCrTe2 monolayer as a half-metallic ferromagnet with a high Curie temperature |
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Chin. Phys. B
2023 Vol.32 (5): 57505-057505
[Abstract]
(249)
[HTML 1 KB]
[PDF 2878 KB]
(245)
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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]
(456)
[HTML 1 KB]
[PDF 1125 KB]
(94)
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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]
(523)
[HTML 1 KB]
[PDF 3192 KB]
(213)
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16105 |
Liping Liu(刘立平), Jin Cao(曹晋), Wei Guo(郭伟), and Chongyu Wang(王崇愚) |
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Spin and spin-orbit coupling effects in nickel-based superalloys: A first-principles study on Ni3Al doped with Ta/W/Re |
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Chin. Phys. B
2022 Vol.31 (1): 16105-016105
[Abstract]
(342)
[HTML 0 KB]
[PDF 2503 KB]
(123)
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107304 |
Xiaolong Feng(冯晓龙), Jiaojiao Zhu(朱娇娇), Weikang Wu(吴维康), and Shengyuan A. Yang(杨声远) |
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Two-dimensional topological semimetals |
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Chin. Phys. B
2021 Vol.30 (10): 107304-107304
[Abstract]
(443)
[HTML 0 KB]
[PDF 2836 KB]
(319)
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87101 |
Yong Li(李勇), Peng Xu(徐鹏), Xiaoming Zhang(张小明), Guodong Liu(刘国栋), Enke Liu(刘恩克), Lingwei Li(李领伟) |
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Electronic structures, magnetic properties, and martensitic transformation in all-d-metal Heusler-like alloys Cd2MnTM(TM=Fe, Ni, Cu) |
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Chin. Phys. B
2020 Vol.29 (8): 87101-087101
[Abstract]
(591)
[HTML 0 KB]
[PDF 927 KB]
(106)
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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]
(422)
[HTML 0 KB]
[PDF 5238 KB]
(99)
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103101 |
Wei-Qi Yu(余维琪), Hong-Jun Xiao(肖红君), Ge-Ming Wang(王戈明) |
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Interface properties and electronic structures of aromatic molecules with anhydride and thio-functional groups on Ag (111) and Au (111) substrates |
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Chin. Phys. B
2019 Vol.28 (10): 103101-103101
[Abstract]
(577)
[HTML 1 KB]
[PDF 3138 KB]
(150)
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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
2019 Vol.28 (10): 107101-107101
[Abstract]
(616)
[HTML 1 KB]
[PDF 21948 KB]
(244)
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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]
(632)
[HTML 1 KB]
[PDF 901 KB]
(276)
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107102 |
Bo Ren(任博), De-Hong Lu(卢德宏), Rong Zhou(周荣), De-Peng Ji(姬德朋), Ming-Yu Hu(胡明钰), Jing Feng(冯晶) |
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First principles study of stability, mechanical, and electronic properties of chromium silicides |
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Chin. Phys. B
2018 Vol.27 (10): 107102-107102
[Abstract]
(612)
[HTML 1 KB]
[PDF 3358 KB]
(245)
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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) |
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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]
(501)
[HTML 1 KB]
[PDF 1136 KB]
(236)
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103101 |
Tai Wang(王泰), Yong-Quan Guo(郭永权), Shuai Li(李帅) |
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Correlation between electronic structure and energy band in Eu-doped CuInTe2 semiconductor compound with chalcopyrite structure |
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Chin. Phys. B
2017 Vol.26 (10): 103101-103101
[Abstract]
(583)
[HTML 1 KB]
[PDF 615 KB]
(249)
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37102 |
Ya-Hui Liu(刘亚会), Xiao-Yu Chong(种晓宇), Ye-Hua Jiang(蒋业华), Jing Feng(冯晶) |
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Stability, electronic structures, and mechanical properties of Fe-Mn-Al system from first-principles calculations |
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Chin. Phys. B
2017 Vol.26 (3): 37102-037102
[Abstract]
(565)
[HTML 0 KB]
[PDF 5188 KB]
(523)
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117401 |
Muhammad Raza ur rehman Hashmi, Muhammad Zafar, M Shakil, Atif Sattar, Shabbir Ahmed, S A Ahmad |
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First-principles calculation of the structural,electronic,and magnetic properties of cubic perovskite RbXF3(X=Mn,V,Co,Fe) |
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Chin. Phys. B
2016 Vol.25 (11): 117401-117401
[Abstract]
(585)
[HTML 1 KB]
[PDF 2451 KB]
(679)
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107402 |
M Atif Sattar, Muhammad Rashid, M Raza Hashmi, S A Ahmad, Muhammad Imran, Fayyaz Hussain |
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Theoretical investigations of half-metallic ferromagnetism in new Half—Heusler YCrSb and YMnSb alloys using first-principle calculations |
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Chin. Phys. B
2016 Vol.25 (10): 107402-107402
[Abstract]
(539)
[HTML 1 KB]
[PDF 3420 KB]
(400)
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67101 |
Sandeep, D P Rai, A Shankar, M P Ghimire, Anup Pradhan Sakhya, T P Sinha, R Khenata, S Bin Omran, R K Thapa |
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Band-gap engineering of La1-xNdxAlO3 (x = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study |
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Chin. Phys. B
2016 Vol.25 (6): 67101-067101
[Abstract]
(766)
[HTML 1 KB]
[PDF 23943 KB]
(419)
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117401 |
M. A. Hadi, M. A. Alam, M. Roknuzzaman, M. T. Nasir, A. K. M. A. Islam, S. H. Naqib |
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Structural, elastic, and electronic properties of recently discovered ternary silicide superconductor Li2IrSi3: An ab-initio study |
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Chin. Phys. B
2015 Vol.24 (11): 117401-117401
[Abstract]
(644)
[HTML 1 KB]
[PDF 287 KB]
(664)
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37301 |
Du Yan-Ling (杜颜伶), Wang Chun-Lei (王春雷), Li Ji-Chao (李吉超), Zhang Xin-Hua (张新华), Wang Fu-Ning (王芙凝), Liu Jian (刘剑), Zhu Yuan-Hu (祝元虎), Yin Na (尹娜), Mei Liang-Mo (梅良模) |
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Two-dimensional metallic behavior at polar MgO/BaTiO3 (110) interfaces |
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Chin. Phys. B
2015 Vol.24 (3): 37301-037301
[Abstract]
(623)
[HTML 0 KB]
[PDF 793 KB]
(549)
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43101 |
Feng Qing (冯庆), Yue Yuan-Xia (岳远霞), Wang Wei-Hua (王渭华), Zhu Hong-Qiang (朱洪强) |
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First-principles study on anatase TiO2 (101) surface adsorption of NO |
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Chin. Phys. B
2014 Vol.23 (4): 43101-043101
[Abstract]
(566)
[HTML 1 KB]
[PDF 1108 KB]
(1149)
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37103 |
Xue Li (薛丽), Xu Bin (徐斌), Yi Lin (易林) |
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Electronic structures and thermoelectric properties of solid solutions CuGa1-xInxTe2：A first-principles study |
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Chin. Phys. B
2014 Vol.23 (3): 37103-037103
[Abstract]
(468)
[HTML 1 KB]
[PDF 457 KB]
(511)
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120205 |
Wang Wei-Hua (王伟华), Zhao Guo-Zhong (赵国忠), Liang Xi-Xia (梁希侠) |
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GGA+U study of the electronic energy bands and state density of the wurtzite In1-xGaxN |
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Chin. Phys. B
2013 Vol.22 (12): 120205-120205
[Abstract]
(553)
[HTML 1 KB]
[PDF 605 KB]
(511)
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67304 |
Gao Chun-Lei (高春雷), Qian Dong (钱冬), Liu Can-Hua (刘灿华), Jia Jin-Feng (贾金锋), Liu Feng (刘锋) |
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Topological edge states and electronic structures of a 2D topological insulator: Single-bilayer Bi (111) |
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Chin. Phys. B
2013 Vol.22 (6): 67304-067304
[Abstract]
(1025)
[HTML 1 KB]
[PDF 1846 KB]
(1847)
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57104 |
Gong Sai(龚赛) and Liu Bang-Gui(刘邦贵) |
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Electronic structures and optical properties of TiO2:Improved density-functional-theory investigation |
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Chin. Phys. B
2012 Vol.21 (5): 57104-057104
[Abstract]
(1553)
[HTML 1 KB]
[PDF 497 KB]
(4337)
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47804 |
Fan Guang-Hua(范光华), Qu Shi-Liang(曲士良), Guo Zhong-Yi(郭忠义), Wang Qiang(王强), and Li Zhong-Guo(李中国) |
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Size-dependent nonlinear absorption and refraction of Ag nanoparticles excited by femtosecond lasers |
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Chin. Phys. B
2012 Vol.21 (4): 47804-047804
[Abstract]
(1279)
[HTML 1 KB]
[PDF 544 KB]
(935)
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47101 |
Kang Ling-Ling(康玲玲), Liu Ting-Yu(刘廷禹), Zhang Qi-Ren(张启仁), Xu Ling-Zhi(徐灵芝), and Zhang Fei-Wu(张飞武) |
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Study of electronic structures and absorption bands of BaMgF4 crystal with F colour centre |
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Chin. Phys. B
2011 Vol.20 (4): 47101-047101
[Abstract]
(1323)
[HTML 1 KB]
[PDF 561 KB]
(747)
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17102 |
Ye Xiao-Qiu(叶小球), Luo De-Li(罗德礼), Sang Ge(桑革), and Ao Bing-Yun(敖冰云) |
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Electronic structures and thermodynamic stabilities of aluminum-based deuterides from first principles calculations |
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Chin. Phys. B
2011 Vol.20 (1): 17102-017102
[Abstract]
(1628)
[HTML 0 KB]
[PDF 1080 KB]
(1138)
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127102 |
Zhang Sha(张莎), Pang Hua(庞华), Fang Yang(方阳), and Li Fa-Shen(李发伸) |
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Electronic structures and magnetocrystalline anisotropy energies of ordered Co1-xNix alloys: a first principles study |
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Chin. Phys. B
2010 Vol.19 (12): 127102-127102
[Abstract]
(1784)
[HTML 0 KB]
[PDF 321 KB]
(1238)
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5468 |
Zhang Jian-Min(张建民), Du Xiu-Juan(杜秀娟), Wang Su-Fang(王素芳), and Xu Ke-Wei(徐可为) |
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Energetics and electronic structure of a single copper atomic chain wrapped in a carbon nanotube: a first-principles study |
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Chin. Phys. B
2009 Vol.18 (12): 5468-5473
[Abstract]
(1582)
[HTML 1 KB]
[PDF 482 KB]
(663)
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3815 |
Zhang Fang-Ying(张芳英), YOU Jian-Qiang(游建强) Zeng Zhi(曾雉), and Zhong Guo-Hua(钟国华) |
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The effect of electronic orbital interactions on p-type doping tendency in ZnO series: First-principles calculations |
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Chin. Phys. B
2007 Vol.16 (12): 3815-3819
[Abstract]
(1545)
[HTML 1 KB]
[PDF 1102 KB]
(568)
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1 |
Li Shu-Shen(李树深) and Xia Jian-Bai(夏建白） |
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Effective-mass theory for coupled quantum dots grown on (11N)-oriented substrates |
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Chin. Phys. B
2007 Vol.16 (1): 1-5
[Abstract]
(1924)
[HTML 1 KB]
[PDF 132 KB]
(1417)
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489 |
Song Bin (宋斌), Ling Li (凌俐), Cao Pei-Lin (曹培林) |
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Theoretical study on structures of Ga3N, GaN3, Ga3N2 and Ga2N3 clusters |
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Chin. Phys. B
2004 Vol.13 (4): 489-496
[Abstract]
(1305)
[HTML 1 KB]
[PDF 254 KB]
(537)
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