First-principles investigation of structural and electronic properties of MgCu 2 Laves phase under pressure

Intermetallics

Volumn 31, Issue , 2012, Pages 257-263

  Liu, Yong ^a   Hu, Wen Cheng ^a   Li, De Jiang ^b   Zeng, Xiao Qin ^c   Xu, Chun Shui ^a   Yang, Xiang Jie ^a  

^a NANCHANG UNIVERSITY   (China)

^b Shanghai Jiao Tong University   (China)

^c SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

A. Laves phases; B. Elastic properties; E. Ab initio calculations

Indexed keywords

CAUCHY PRESSURE; DENSITY OF STATE; E. AB-INITIO CALCULATIONS; ELASTIC PROPERTIES; ELASTIC STIFFNESS CONSTANT; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES INVESTIGATIONS; GENERALIZED GRADIENT APPROXIMATIONS; IONIC CONFIGURATION; LAVES PHASIS; LAVES-PHASE; POISSON'S RATIO; THEORETICAL RESULT; TYPE STRUCTURES; YOUNG MODULUS;

CALCULATIONS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY;

ELECTRONIC PROPERTIES;

EID: 84867023694     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2012.07.017     Document Type: Article

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