Anomalous electrical properties in superionic (Ag x Cu1-x )Br (x=0.5): ab initio study

被引：6

作者：

Matsunaga, Shigeki ^{[1
]}

机构：

[1] Nagaoka Natl Coll Technol, Nagaoka, Niigata 9408532, Japan

来源：

IONICS | 2015年 / 21卷 / 01期

关键词：

(AgxCux-1)Br; Ab initio calculation; Band structure; Density of states; Charge transfer; Occupation probability; Dynamic properties; Phonon propagation; Electrical properties; CUI;

D O I：

10.1007/s11581-014-1144-x

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The electrical properties of superionic (Ag (x) Cu1-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 (Ag (x) Cu1-x )Br (x = 0.5).

引用

页码：161 / 166

页数：6

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