Simple Metal and Binary Alloy Phases Based on the fcc Structure: Electronic Origin of Distortions, Superlattices and Vacancies

Valentina F. Degtyareva; Nataliya S. Afonikova

doi:10.20944/preprints201701.0002.v1

Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Version 1 : Received: 30 December 2016 / Approved: 2 January 2017 / Online: 2 January 2017 (10:42:19 CET)

Crystal structures of simple metals and binary alloy phases based on the face-centered cubic (fcc) structure are analyzed within the model of Fermi sphere – Brillouin zone interactions to understand the stability of original cubic structure and derivative structures with distortions, superlattices and vacancies. 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. Representation of complex structures in the reciprocal space clarifies their relationship to the basic cubic cell.

crystal structure; Hume-Rothery phases; structure stability

MATERIALS SCIENCE, General Materials Science

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Simple Metal and Binary Alloy Phases Based on the fcc Structure: Electronic Origin of Distortions, Superlattices and Vacancies

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