Thermodynamic properties of MgO under high pressure from first-principles calculations

Physica B: Condensed Matter

Volumn 370, Issue 1-4, 2005, Pages 236-242

  Lu, Lai Yu ^a   Cheng, Yan ^a   Chen, Xiang Rong ^a,b   Zhu, Jun ^a  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Equations of state; Generalized gradient approximation; MgO; Thermodynamic properties

Indexed keywords

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

DEBYE MODELS; DEBYE TEMPERATURE; GENERALIZED GRADIENT APPROXIMATION (GGA); ROCKSALT (RS) STRUCTURE;

MAGNESIA;

EID: 28244463244     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.09.017     Document Type: Article

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