First-principles calculations for elastic properties of the rocksalt structure MgO

Physica B: Condensed Matter

Volumn 387, Issue 1-2, 2007, Pages 245-249

  Zhao, Jian Zhou ^a   Lu, Lai Yu ^a   Chen, Xiang Rong ^a,b   Bai, Yu Lin ^a,c  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c YIBIN UNIVERSITY   (China)

Author keywords

Elastic constants; Generalized gradient approximation; High pressure; MgO

Indexed keywords

APPROXIMATION THEORY; ELASTIC MODULI; HIGH PRESSURE EFFECTS; LATTICE CONSTANTS; SALTS; THERMAL EFFECTS;

DEBYE TEMPERATURE; ELASTIC CONSTANTS; GENERALIZED GRADIENT APPROXIMATION; PRESSURE DEPENDENCES;

MAGNESIA;

EID: 33751418947     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2006.04.013     Document Type: Article

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