Thermodynamic properties of the alpha-quartz-type and rutile-type GeO2 from first-principles calculations

Journal article

Peer reviewed

Patrick Hermet, Adrien Lignie, Guillaume Fraysse, Pascale Armand and Philippe Papet

Physical Chemistry Chemical Physics, Vol.15, pp.15943-15948

09/2013

Abstract

Density functional theory (DFT)

thermal expansion

pressure dependence

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Title: Thermodynamic properties of the alpha-quartz-type and rutile-type GeO2 from first-principles calculations
Creators - without role: Patrick Hermet - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Adrien Lignie - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Guillaume Fraysse - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Pascale Armand - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Philippe Papet - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGM
Publication Details: Physical Chemistry Chemical Physics, Vol.15, pp.15943-15948
Identifiers: 9942553609311
Academic Unit: Institut Charles Gerhardt Montpellier - ICGM
Language: English
Resource Type: Journal article
Local Fields: hal-00859691