4.7 Article

Phase stability of ternary antifluorite type compounds in the quasi-binary systems Mg2X-Mg2Y (X, Y = Si, Ge, Sn) via ab-initio calculations

Journal

INTERMETALLICS
Volume 31, Issue -, Pages 145-151

Publisher

ELSEVIER SCI LTD
DOI: 10.1016/j.intermet.2012.06.016

Keywords

Silicides; various; Ternary alloy systems; ab-initio calculations; Phase diagram; prediction; Thermoelectric power generation

Funding

  1. CNRS

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A first-principles study of the stability of ternary alloys based on the antifluorite structure with Mg2X chemical formula (X = Si, Ge and Sn) is reported in order to evaluate their potential for high temperature thermoelectric applications. For the end-members, we find that vertical bar E-form(Mg2Si)vertical bar

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