The electronic structure of a hydrogen impurity in aluminium II. The bandstructure model

✍ Scribed by B. I. Craig

• Publisher: John Wiley and Sons
• Year: 1982
• Tongue: English
• Weight: 748 KB
• Volume: 114
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/pssb.2221140205

✦ Synopsis

Abstract

The electronic properties are discussed of hydrogen impurities in aluminium resulting from a realistic bandstructure description of the pure metal. A Green's function matrix technique is used to solve the anisotropic impurity interaction to self‐consistency. The results show that the accurate treatment of this non‐spherical nature yields a significant concentration of electronic charge between a proton occupying a tetrahedral site and the neighbouring aluminium ions. In contrast, a proton occupying the more open octahedral position yields an electronic structure which is similar to that obtained from the simple, spherically symmetric, jellium—proton model.