Elastic and thermodynamic properties of LaB6 under pressure: a first-principles study

The elastic and thermodynamic properties of CsCl-type structure LaB6 under high pressure are investigated by first-principles calculations based on plane-wave pseudopotential density functional theory method within the generalized gradient approximation (GGA). The calculated lattice parameters of La...

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Detalhes bibliográficos

Principais autores:	HE Xi, FU Min, YU Bai-Ru
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Editorial Department of Journal of Sichuan University (Natural Science Edition) 2017-01-01
coleção:	四川大学学报. 自然科学版
Assuntos:	Density functional theory Elastic properties Electronic properties Thermodynamics properties
Acesso em linha:	http://science.scu.edu.cn/thesisDetails?columnId=45828065&Fpath=home&index=0
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