First-principles calculations for structure and equation of state of MgB2 at high pressure

Physica B: Condensed Matter

Volumn 370, Issue 1-4, 2005, Pages 281-286

  Chen, Xiang Rong ^a,b   Wang, Hai Yan ^a   Cheng, Yan ^a   Hao, Yan Jun ^a  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Equation of state; Full potential linearized muffin tin orbital; Generalized gradient approximation; MgB2

Indexed keywords

APPROXIMATION THEORY; EQUATIONS OF STATE; HARMONIC ANALYSIS; HIGH PRESSURE EFFECTS; MATHEMATICAL MODELS; PHONONS; PROBABILITY DENSITY FUNCTION; THERMAL EXPANSION;

DEBYE MODEL; FULL-POTENTIAL LINEARIZED MUFFIN-TIN ORBITAL; GENERALIZED GRADIENT APPROXIMATION (GGA); MGB2;

MAGNESIUM COMPOUNDS;

EID: 28244464814     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.09.025     Document Type: Article

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