p-d hybridization of noble metal halides

被引:2
作者
Kobayashi, M [1 ]
Iyetomi, H
Ono, S
Tomoyose, T
机构
[1] Niigata Univ, Dept Phys, Niigata 9502181, Japan
[2] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan
[3] Ryukoku Univ, Dept Phys, Okinawa 9030100, Japan
来源
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2001年 / 15卷 / 6-7期
关键词
D O I
10.1142/S0217979201005155
中图分类号
O59 [应用物理学];
学科分类号
摘要
The eletronic band calculations of noble metal halides are studied to make the high ionic conducting origin of silver and cupper ions clear using the tight-binding method. The d bands of Ag ions are much more weakly coupled with the p bands of halogen ions, while those of Cu ions are much more strongly coupled with the p bands. The strength of p-d hybridization is discussed to connect with the activation energy for the ionic conduction. It is shown that the high ionic conductivity of AgX primary stems from combination of the deformability of the d shell and the weakness of the p-d hybridization.
引用
收藏
页码:678 / 685
页数:8
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