Hybrid functional study rationalizes the simple cubic phase of calcium at high pressures

Journal of Chemical Physics

Volumn 137, Issue 18, 2012, Pages

  Liu, Hanyu ^a   Cui, Wenwen ^a   Ma, Yanming ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICAL STABILITY; ELECTRON EXCHANGE; ENERGETIC STABILITY; EXPERIMENTAL DATUM; HIGH-PRESSURE PHASE; HYBRID FUNCTIONAL; HYBRID FUNCTIONALS; LOW TEMPERATURES;

DENSITY FUNCTIONAL THEORY; PHASE STABILITY; PHONONS; X RAY DIFFRACTION;

CALCIUM;

CALCIUM;

ARTICLE; CHEMISTRY; PRESSURE; QUANTUM THEORY; THERMODYNAMICS;

CALCIUM; PRESSURE; QUANTUM THEORY; THERMODYNAMICS;

EID: 84874184627     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4765326     Document Type: Article

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