Diamond polytypes under high pressure: A first-principles study

被引：0
|
作者：
Cui, Hui-Juan [1 ]
Sheng, Xian-Lei [2 ]
Yan, Qing-Bo [1 ,3 ]
Zhu, Zhen-Gang [1 ,4 ]
Zheng, Qing-Rong [1 ]
Su, Gang [1 ]
机构：
[1] Theoretical Condensed Matter Physics and Computational Materials Physics Laboratory, School of Physics, University of Chinese Academy of Sciences, Beijing,100049, China
[2] Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing,100190, China
[3] College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing,100049, China
[4] School of Electronic, Electrical and Communication Engineering, University of Chinese Academy of Sciences, Beijing,100049, China
来源：
Computational Materials Science | 2015年 / 98卷
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
72
引用
收藏
页码：129 / 135
相关论文
共 50 条
  • [1] Diamond polytypes under high pressure: A first-principles study
    Cui, Hui-Juan
    Sheng, Xian-Lei
    Yan, Qing-Bo
    Zhu, Zhen-Gang
    Zheng, Qing-Rong
    Su, Gang
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 2015, 98 : 129 - 135
  • [2] First-principles studies of diamond polytypes
    Wen, Bin
    Zhao, Jijun
    Bucknum, Michael J.
    Yao, Pingkun
    Li, Tingju
    [J]. DIAMOND AND RELATED MATERIALS, 2008, 17 (03) : 356 - 364
  • [3] Thermal conductivity of diamond under extreme pressure: A first-principles study
    Broido, D. A.
    Lindsay, L.
    Ward, A.
    [J]. PHYSICAL REVIEW B, 2012, 86 (11)
  • [4] First-principles study of SnO under high pressure
    Ali, M. A.
    Islam, A. K. M. A.
    Jahan, N.
    Karimunnesa, S.
    [J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2016, 30 (31):
  • [5] First-principles study of osmium under high pressure
    Liang, Yongcheng
    Fang, Zhong
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (39) : 8749 - 8759
  • [6] First-principles study on the upper pressure limit of diamond under multiaxial stress
    Li, Qingkun
    Li, Zhiyuan
    Wang, Biao
    [J]. DIAMOND AND RELATED MATERIALS, 2023, 138
  • [7] First-principles study of solid nitromethane under high pressure
    Liu, H
    Zhao, JJ
    Dai, XF
    Shi, HF
    Wei, DQ
    Gong, ZZ
    [J]. Theory and Practice of Energetic Materials, Vol 6, 2005, : 300 - 305
  • [8] LiH under high pressure and high temperature: A first-principles study
    Wang, Y
    Ahuja, R
    Johansson, B
    [J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2003, 235 (02): : 470 - 473
  • [9] Zone-center modes of cubic and hexagonal diamond under high pressure: A first-principles study
    Wu, BR
    Xu, J
    [J]. PHYSICAL REVIEW B, 1999, 60 (05): : 2964 - 2967
  • [10] Gypsum under pressure: A first-principles study
    Giacomazzi, Luigi
    Scandolo, Sandro
    [J]. PHYSICAL REVIEW B, 2010, 81 (06):
12345