Crystal stabilities and electronic properties of thorium silicide under ambient conditions and high pressures from a first-principles study

被引：0
|
作者：
Qiu, Qian [1 ]
Liao, Zhiguang [1 ]
Guo, Yongliang [2 ]
Zhan, Qingfeng [1 ]
Ke, Xuezhi [1 ]
机构：
[1] School of Physics and Electronic Science, East China Normal University, Shanghai,200241, China
[2] School of Science, Henan Institute of Technology, Xinxiang,453003, China
来源：
Computational Materials Science | 2021年 / 197卷
关键词：
42;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] First-Principles Study of the Elastic, Hardness and Electronic Properties of MoAlB under High Pressure
    Xiao Ling Zhu
    Wei Yang
    Shan Shan Gao
    Jin Ping Zhang
    Journal of the Korean Physical Society, 2019, 74 : 473 - 480
  • [32] Electronic and optical properties of lithium niobate under high pressure: A first-principles study
    桑丹丹
    王庆林
    韩崇
    陈凯
    潘跃武
    Chinese Physics B, 2015, 24 (07) : 422 - 427
  • [33] First-principles investigations of crystal structures and physical properties of jadeite under various pressures
    Yang, Jin
    Song, Yueting
    Zhou, Shu
    Wu, Boqing
    Xu, Guanli
    Xiang, Mingshun
    PHYSICA B-CONDENSED MATTER, 2018, 543 : 32 - 37
  • [34] First-principles investigations on structure and thermodynamic properties of CaS under high pressures
    Wu Ruo-Xi
    Liu Dai-Jun
    Yu Yang
    Yang Tao
    ACTA PHYSICA SINICA, 2016, 65 (02)
  • [35] First-principles study of the elastic and thermodynamic properties of thorium hydrides at high pressure
    张晓林
    武媛媛
    邵晓红
    鲁勇
    张平
    Chinese Physics B, 2016, 25 (05) : 274 - 280
  • [36] Electronic and transport properties of semimetal ZrBeSi crystal: a first-principles study
    Li, Yu-Huan
    Zhang, Tian
    Zeng, Zhao-Yi
    Chen, Xiang-Rong
    Geng, Hua-Yun
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 34 (49)
  • [37] Crystal Structures, Phase Stabilities, Electronic Properties, and Hardness of Yttrium Borides: New Insight from First-Principles Calculations
    Ding, Li-Ping
    Tiandong, Yun Hao
    Shao, Peng
    Tang, Yan
    Zhao, Zi-Li
    Lu, Haiyan
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (22): : 5423 - 5429
  • [38] Electronic structure and optical properties of α-RDX crystal under pressure from first-principles calculations
    Cheng, Heping
    Huang, Zhimeng
    Chen, Tunan
    MOLECULAR PHYSICS, 2016, 114 (12) : 1931 - 1938
  • [39] First-principles study of the elastic and thermodynamic properties of thorium hydrides at high pressure
    Zhang, Xiao-Lin
    Wu, Yuan-Yuan
    Shao, Xiao-Hong
    Lu, Yong
    Zhang, Ping
    CHINESE PHYSICS B, 2016, 25 (05)
  • [40] First-principles calculations of structural and electronic properties of Ta2N3 under high pressures
    Zhang, Ji-Dong
    Wang, Hai-Feng
    PHYSICA B-CONDENSED MATTER, 2013, 428 : 89 - 93
12345