Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations

Article ID	Journal	Published Year	Pages	File Type
1561886	Computational Materials Science	2012	6 Pages	PDF

Abstract

âº The elastic and thermodynamic properties of V5Si3 have been investigated. âº The W5Si3-type is stable phase whereas the Cr5B3-type is a metastable phase. âº The electronic structure of V5Si3 shows a strong covalent character of the bonds. âº Debye temperature, heat capacity, and thermal expansion have also been obtained.

Keywords

Elastic constants electronic structure Silicides First-principles calculations

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

Preview

Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations

Authors

Xiaoma Tao, Hongmei Chen, Xiaofeng Tong, Yifang Ouyang, Philippe Jund, Jean-Claude Tedenac,