Ab initio calculation of the elastic properties and the lattice dynamics of the AlAsxSb1-x alloy under pressure

High Pressure Research

Volumn 31, Issue 2, 2011, Pages 310-324

  Daoud, K ^a   Bouamama, Kh ^a   Djemia, P ^b   Cherif S M ^b  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ PARIS 13   (France)

Author keywords

AlAs; AlSb; density functional perturbation theory (DFPT); virtual crystal approximation (VCA); elastic constants; phonon; supercell

Indexed keywords

AB INITIO CALCULATIONS; ACOUSTICAL PHONONS; ALAS; ALSB; DENSITY-FUNCTIONAL PERTURBATION THEORY; DIELECTRIC COEFFICIENT; EFFECTIVE CHARGE; ELASTIC PROPERTIES; GRUNEISEN PARAMETERS; HIGH FREQUENCY HF; HIGH PRESSURE; HIGH-SYMMETRY POINTS; LATTICE DYNAMICS; MECHANICAL INSTABILITIES; OPTICAL PHONON FREQUENCIES; STRUCTURAL TRANSITIONS; SUPER CELL; VIRTUAL CRYSTAL APPROXIMATION;

CALCULATIONS; CERIUM ALLOYS; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTICITY; LATTICE VIBRATIONS; PERTURBATION TECHNIQUES; PHONONS; WAVE FUNCTIONS;

SOLIDS;

EID: 79957505182     PISSN: 08957959     EISSN: 14772299     Source Type: Journal    
DOI: 10.1080/08957959.2010.545406     Document Type: Article

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