First-principles investigations on elastic and thermodynamic properties of zinc-blende structure BeS

Chinese Physics B

Volumn 17, Issue 4, 2008, Pages 1377-1382

  Chang, Jing ^a   Chen, Xiang Rong ^a,b   Zhang, Wei ^a   Zhu, Jun ^a  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

BeS; Density functional theory; Elastic constants; Gr neisen parameter; Thermodynamic properties

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; PRESSURE EFFECTS; THERMODYNAMIC PROPERTIES;

FIRST-PRINCIPLES INVESTIGATIONS; GENERALIZED GRADIENT APPROXIMATION (GGA); PRESSURE-VOLUME-TEMPERATURE;

ZINC COMPOUNDS;

EID: 42649110691     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/17/4/037     Document Type: Article

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