First-principles study of diffusion of cu and in atoms in CuInSe 2

被引：0
|
作者：
Nakamura, Satoshi [1 ]
Maeda, Tsuyoshi [1 ]
Wada, Takahiro [1 ]
机构：
[1] Department of Materials Chemistry, Ryukoku University, Otsu 520-2194, Japan
来源：
Japanese Journal of Applied Physics | 2013年 / 52卷 / 4 PART 2期
关键词：
Electrostatic potentials - First-principles calculation - First-principles study - Generalized gradient approximations - Migration pathway - Nudged elastic band - Octahedral sites - Tetrahedral sites;
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
  • [41] First-principles study of Cl diffusion in cubic SiC
    1600, American Institute of Physics Inc. (113):
  • [42] Functionalization of germanene by metal atoms adsorption: A first-principles study
    Pang, Qing
    Li, Long
    Zhang, Lin-li
    Zhang, Chun-ling
    Song, Yu-ling
    CANADIAN JOURNAL OF PHYSICS, 2015, 93 (11) : 1310 - 1318
  • [43] First-principles study of the diffusion of Li in bcc Fe
    Li, Yue
    Yu, Xingang
    FUSION ENGINEERING AND DESIGN, 2019, 148
  • [44] Boron diffusion in strained Si: A first-principles study
    Lin, L. (llin@ece.utexas.edu), 1600, American Institute of Physics Inc. (96):
  • [45] First-principles study of hydrogen diffusion in alpha Ti
    Han, X. L.
    Wang, Q.
    Sun, D. L.
    Sun, T.
    Guo, Q.
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2009, 34 (09) : 3983 - 3987
  • [46] First-principles study of the IVA group atoms adsorption on graphene
    Gao, Haigen
    Zhou, Jian
    Lu, Minghui
    Fa, Wei
    Chen, Yanfeng
    JOURNAL OF APPLIED PHYSICS, 2010, 107 (11)
  • [47] First-principles study of noble gas atoms in bcc Fe
    Zhang, Pengbo
    Ding, Jianhua
    Sun, Dan
    Zhao, Jijun
    JOURNAL OF NUCLEAR MATERIALS, 2017, 492 : 134 - 141
  • [48] Adsorption of alkali metal atoms on germanene: A first-principles study
    Pang, Qing
    Zhang, Chun-ling
    Li, Long
    Fu, Zhi-qiang
    Wei, Xiu-mei
    Song, Yu-ling
    APPLIED SURFACE SCIENCE, 2014, 314 : 15 - 20
  • [49] First-principles study of deformation behavior and structural defects in CuInSe2 and Cu(In,Ga)Se2 -: art. no. 035207
    Medvedeva, NI
    Shalaeva, EV
    Kuznetsov, MV
    Yakushev, MV
    PHYSICAL REVIEW B, 2006, 73 (03)
  • [50] Ionization and diffusion of metal atoms under electric field at metal/insulator interfaces; First-principles study
    Asayama, Yoshihiro
    Hiyama, Masaaki
    Nakayama, Takashi
    MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2017, 70 : 78 - 82
12345