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Other articles related with "first principles calculations"：
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46501 |
Jiaxin Geng(耿嘉鑫), Pei Zhang(张培), Zhunyun Tang(汤准韵), and Tao Ouyang(欧阳滔) |
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Phonon transport properties of Janus Pb2XAs(X = P, Sb, and Bi) monolayers: A DFT study |
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Chin. Phys. B
2024 Vol.33 (4): 46501-046501
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96302 |
Junyu Shen(沈俊宇), Qingzhuo Duan(段青卓), Junyi Miao(苗俊一), Shi He(何适),Kaihua He(何开华), Wei Dai(戴伟), and Cheng Lu(卢成) |
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New carbon-nitrogen-oxygen compounds as high energy density materials |
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Chin. Phys. B
2023 Vol.32 (9): 96302-096302
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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
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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-
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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
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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
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(149)
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76104 |
M Shakil, Muhammad Zafar, Shabbir Ahmed, Muhammad Raza-ur-rehman Hashmi, M A Choudhary, T Iqbal |
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Theoretical calculations of structural, electronic, and elastic properties of CdSe1-xTex: A first principles study |
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Chin. Phys. B
2016 Vol.25 (7): 76104-076104
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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]
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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]
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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
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106108 |
Muhammad Zafar, Shabbir Ahmed, M. Shakil, M. A. Choudhary |
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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]
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[PDF 385 KB]
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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
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