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

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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;
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