Elastic and thermodynamic properties of CaB6 under pressure from first principles

Physica B: Condensed Matter

Volumn 406, Issue 23, 2011, Pages 4476-4482

  Wei, Yong Kai ^a   Yu, Jing Xin ^a   Li, Zhi Guo ^a   Cheng, Yan ^a   Ji, Guang Fu ^b  

^a SICHUAN UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

CaB6; Density functional theory; Elastic properties; Thermodynamics properties

Indexed keywords

ANISOTROPY PARAMETERS; CAB6; DENSITY FUNCTIONAL THEORY METHODS; DENSITY FUNCTIONALS; ELASTIC PROPERTIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; PLANE WAVE; PRESSURE DEPENDENCE; PRESSURE DERIVATIVES; PRESSURE-VOLUME-TEMPERATURES; PSEUDOPOTENTIALS; QUASI-HARMONIC DEBYE MODEL; THERMODYNAMICS PROPERTIES; ZERO PRESSURE; ZERO TEMPERATURES;

CALCULATIONS; CESIUM ALLOYS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; MECHANICAL STABILITY; STRONTIUM COMPOUNDS; THERMAL EXPANSION; THERMODYNAMICS;

TEMPERATURE;

EID: 80053564719     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.09.011     Document Type: Article

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