[1] |
Jiaqi Li(李嘉琪), Xinlu Cheng(程新路), and Hong Zhang(张红). Theoretical study of M6X2 and M6XX' structure (M = Au, Ag; X,X' = S, Se): Electronic and optical properties, ability of photocatalytic water splitting, and tunable properties under biaxial strain[J]. 中国物理B, 2022, 31(9): 97101-097101. |
[2] |
Yuanchao Huang(黄渊超), Rong Wang(王蓉), Yiqiang Zhang(张懿强), Deren Yang(杨德仁), and Xiaodong Pi(皮孝东). Assessing the effect of hydrogen on the electronic properties of 4H-SiC[J]. 中国物理B, 2022, 31(5): 56108-056108. |
[3] |
Xin Zhang(张鑫), Ruge Quhe(屈贺如歌), and Ming Lei(雷鸣). Insights into the adsorption of water and oxygen on the cubic CsPbBr3 surfaces: A first-principles study[J]. 中国物理B, 2022, 31(4): 46401-046401. |
[4] |
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). First-principles study of stability of point defects and their effects on electronic properties of GaAs/AlGaAs superlattice[J]. 中国物理B, 2022, 31(3): 36104-036104. |
[5] |
Peiju Hu(胡佩菊), Junhao Peng(彭俊豪), Xing Xie(谢兴), Minru Wen(文敏儒),Xin Zhang(张欣), Fugen Wu(吴福根), and Huafeng Dong(董华锋). Boron at tera-Pascal pressures[J]. 中国物理B, 2022, 31(3): 36301-036301. |
[6] |
Guoliang Xu(徐国亮), Jing Wang(王晶), Xilin Zhang(张喜林), and Zongxian Yang(杨宗献). First principles study on geometric and electronic properties of two-dimensional Nb2CTx MXenes[J]. 中国物理B, 2022, 31(3): 37304-037304. |
[7] |
Tian-Hui Dong(董天慧), Xu-Dong Zhang(张旭东), Lin-Mei Yang(杨林梅), and Feng Wang(王峰). Effect of structural vacancies on lattice vibration, mechanical, electronic, and thermodynamic properties of Cr5BSi3[J]. 中国物理B, 2022, 31(2): 26101-026101. |
[8] |
Yaowen Long(龙耀文), Hong Zhang(张红), and Xinlu Cheng(程新路). Stability, electronic structure, and optical properties of lead-free perovskite monolayer Cs3B2X9 (B=Sb, Bi; X=Cl, Br, I) and bilayer vertical heterostructure Cs3B2X9/Cs3B2'X9 (B,B'=Sb, Bi; X=Cl, Br, I)[J]. 中国物理B, 2022, 31(2): 27102-027102. |
[9] |
Hao Peng(彭浩), Xin Jin(金鑫), Yang Song(宋洋), and Shixuan Du(杜世萱). First principles study of hafnium intercalation between graphene and Ir(111) substrate[J]. 中国物理B, 2022, 31(10): 106801-106801. |
[10] |
Yiming Zhang(张一鸣), Jing Liu(刘景), Chun Li(李春), Wei Jin(金蔚), Georgios Lefkidis, and Wolfgang Hübner. Strain-modulated ultrafast magneto-optic dynamics of graphene nanoflakes decorated with transition-metal atoms[J]. 中国物理B, 2021, 30(9): 97702-097702. |
[11] |
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). Density functional theory investigation on lattice dynamics, elastic properties and origin of vanished magnetism in Heusler compounds CoMnVZ (Z= Al, Ga)[J]. 中国物理B, 2021, 30(8): 83103-083103. |
[12] |
Jintao Hong(洪锦涛), Fengyuan Zhang(张丰源), Zheng Liu(刘峥), Jie Jiang(蒋杰), Zhangting Wu(吴章婷), Peng Zheng(郑鹏), Hui Zheng(郑辉), Liang Zheng(郑梁), Dexuan Huo(霍德璇), Zhenhua Ni(倪振华), and Yang Zhang(张阳). Achieving high-performance multilayer MoSe2 photodetectors by defect engineering[J]. 中国物理B, 2021, 30(8): 87801-087801. |
[13] |
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). High-throughput identification of one-dimensional atomic wires and first principles calculations of their electronic states[J]. 中国物理B, 2021, 30(5): 57304-057304. |
[14] |
伍义远, 朱雪良, 杨恒玉, 王志光, 李玉红, 王保田. First principles calculations on the thermoelectric properties of bulk Au2S with ultra-low lattice thermal conductivity[J]. 中国物理B, 2020, 29(8): 87202-087202. |
[15] |
熊伦, 李强, 杨成福, 谢清爽, 张俊然. A high-pressure study of Cr3C2 by XRD and DFT[J]. 中国物理B, 2020, 29(8): 86401-086401. |