CHEMICAL TRENDS IN THE REAL SPACE PSEUDOPOTENTIAL OF ZINC-BLENDE STRUCTURE BINARY COMPOUNDS

摘要

In order to gain insight into superionic conducting materials, a comparative study of the bonding nature in binary compounds with the zinc-blende structure has been performed. The real space pseudopo-tential which reflects the valence electron distribution provides useful information in order to understand the ion transport in superionic materials from an electronic theory point of view. It is also shown that the bonding in Cu and Ag halides is determined mainly by anions. This finding is expected to provide a microscopic basis to the traditionally adopted picture of a mobile ion in a cage formed by the immobile ions.