Simple metal binary phases based on the body centered cubic structure: electronic origin of distortions and superlattices

Abstract

Binary alloy phases of the noble metals with main group elements are analyzed in relation to body centered cubic structure with orthorhombic and hexagonal distortions. Stability of these distorted phases is considered on the base of the Fermi sphere - Brillouin zone interaction to understand the important part of the band structure energy contribution to the overall crystal energy. Examination of Brillouin zone - Fermi sphere configurations for several representative phases has shown significance of the electron energy contribution in the formation of distorted structures with superlattices and ordered vacancies. This approach may be useful for understanding recently found complex structures in compressed simple alkali metals.