Structural, electronic, elastic and thermodynamic properties of CaAl 2Zn 2 compound under different pressures

Computational Materials Science

Volumn 59, Issue , 2012, Pages 33-40

  Dang, Zhenling ^a   Zhan, Yongzhong ^a   Pang, Mingjun ^a   Wang, Haizhou ^a   Du, Yong ^b  

^a GUANGXI UNIVERSITY   (China)

^b CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Crystal structure; Elasticity; Electronic band structure; Metals and alloys

Indexed keywords

ANISOTROPIC ELASTICITY; ANISOTROPY FACTOR; DENSITY OF STATE; ELASTIC PROPERTIES; ELECTRONIC BAND STRUCTURE; EXPERIMENTAL DATA; FIRST PRINCIPLES METHOD; GENERALIZED GRADIENT APPROXIMATIONS; LINEAR COMPRESSIBILITIES; METALS AND ALLOYS; POISSON'S RATIO; POLYCRYSTALLINE; STRUCTURAL DATA; YOUNG'S MODULUS; ZERO PRESSURE;

ANISOTROPY; BAND STRUCTURE; CRYSTAL STRUCTURE; DEBYE TEMPERATURE; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; ELECTRONIC PROPERTIES; LOCAL DENSITY APPROXIMATION; METALLURGY;

ZINC;

EID: 84862794814     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.02.017     Document Type: Article

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