p-d hybridization of noble metal halides

Citation
M. Kobayashi et al., p-d hybridization of noble metal halides, INT J MOD B, 15(6-7), 2001, pp. 678-685
Citations number
29
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
ISSN journal
02179792 → ACNP
Volume
15
Issue
6-7
Year of publication
2001
Pages
678 - 685
Database
ISI
SICI code
0217-9792(20010320)15:6-7<678:PHONMH>2.0.ZU;2-X
Abstract
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 w ith the p bands of halogen ions, while those of Cu ions are much more stron gly coupled with the p bands. The strength of p-d hybridization is discusse d to connect with the activation energy for the ionic conduction. It is sho wn that the high ionic conductivity of AgX primary stems from combination o f the deformability of the d shell and the weakness of the p-d hybridizatio n.