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

Romain Viennois; Catherine Colinet; Philippe Jund; Jean-Claude Tedenac

doi:10.1016/j.intermet.2012.06.016

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

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

Romain Viennois, Catherine Colinet, Philippe Jund and Jean-Claude Tedenac

Intermetallics, Vol.31C, pp.145-151

26/07/2012

DOI: https://doi.org/10.1016/j.intermet.2012.06.016

Abstract

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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Title: Phase stability of ternary antifluorite type compounds in the quasi-binary systems Mg2X-Mg2Y (X,Y=Si, Ge, Sn) via ab-initio calculations.
Creators - without role: Romain Viennois - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Catherine Colinet - Université Joseph Fourier
Philippe Jund - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Jean-Claude Tedenac - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Publication Details: Intermetallics, Vol.31C, pp.145-151
Identifiers: 9947607309311
Academic Unit: Institut Charles Gerhardt Montpellier - ICGM
Language: English
Resource Type: Journal article
Local Fields: hal-00734433