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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Главные авторы:	HE Xi, FU Min, YU Bai-Ru
Формат:	Artigo
Язык:	Inglês
Опубликовано:	Editorial Department of Journal of Sichuan University (Natural Science Edition) 2017-01-01
Серии:	四川大学学报. 自然科学版
Предметы:	Density functional theory Elastic properties Electronic properties Thermodynamics properties
Online-ссылка:	http://science.scu.edu.cn/thesisDetails?columnId=45828065&Fpath=home&index=0
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