Structural and thermodynamic properties of MgB2 from first-principles calculations

Solid State Communications

Volumn 134, Issue 12, 2005, Pages 787-790

  Guo, Hua Zhong ^a   Chen, Xiang Rong ^a,b   Cai, Ling Cang ^c   Zhu, Jun ^a   Gao, Jie ^a  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

A. MgB2; D. Equation of states; D. Local density approximation

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; EQUATIONS OF STATE; IONIZATION; KINETIC ENERGY; LATTICE CONSTANTS; STRUCTURAL OPTIMIZATION; THERMODYNAMIC PROPERTIES; TRANSPORT PROPERTIES;

DEBYE MODEL; ELECTRONIC BAND; LOCAL DENSITY APPROXIMATION; MGB2;

MAGNESIUM COMPOUNDS;

EID: 18544385475     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2005.03.040     Document Type: Article

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