Simple metal and binary alloy phases based on the hcp structure: electronic origin of distortions and superlattices (1405.3044v1)

Abstract: Crystal structures of simple metals and binary alloy phases based on the close-packed hexagonal structure are analyzed within the model of Fermi sphere-Brillouin zone interactions to understand distortions and superlattices. Examination of the Brillouin-Jones configuration in relation to the nearly-free electron Fermi sphere for several representative phases reveals significance of the electron energy contribution to the phase stability. This approach may be useful for understanding high pressure structures recently found in compressed simple alkali and alkali-earth metals.