Anomalous electrical properties in superionic (AgxCu1−x)Br (x = 0.5): ab initio study

被引：0
作者：
Shigeki Matsunaga
机构：
[1] Nagaoka National College of Technology,
来源：
Ionics | 2015年 / 21卷
关键词：
(Ag; Cu; )Br; calculation; Band structure; Density of states; Charge transfer; Occupation probability; Dynamic properties; Phonon propagation; Electrical properties;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The electrical properties of superionic (AgxCu1−x)Br (x = 0.5), band structure and density of states, have been examined by ab initio calculation based on the density functional theory in comparison with solid CuBr in zinc blend structure. The charge transfer between ions has been discussed in relation with the occupation probability of Cu ion in superionic (AgxCu1−x)Br (x = 0.5).
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页码：161 / 166
页数：5
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