Ab initio study of the enthalpy barriers of the high-pressure phase transition from the cubic-diamond to the β-tin structure of silicon and germanium

Computational Materials Science

Volumn 30, Issue 1-2 SPEC ISS., 2004, Pages 1-7

  Gaal Nagy K ^a   Bauer, A ^a   Pavone, P ^a   Strauch, D ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ENTHALPY; GERMANIUM; KINETIC ENERGY; LATTICE CONSTANTS; MATHEMATICAL MODELS; PHASE DIAGRAMS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; SILICON;

ELECTRONIC WAVE FUNCTIONS; GAUSSIAN SMEARING; LOCAL-DENSITY APPROXIMATION; MURNAGHAN EQUATION;

MATERIALS SCIENCE;

EID: 1942516998     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.01.002     Document Type: Conference Paper

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