Vibrational properties and phase transitions in IIVI materials: Lattice dynamics, abinitio studies and inelastic neutron scattering measurements

Journal of Physics Condensed Matter

Volumn 24, Issue 11, 2012, Pages

  Basak, Tista ^a   Rao, Mala N ^a   Gupta, M K ^a   Chaplot, S L ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BENDING MODES; DENSITY FUNCTIONAL PERTURBATION THEORY; DYNAMICAL INSTABILITIES; EXPERIMENTAL DATA; GENERALIZED GRADIENT APPROXIMATIONS; HIGH-PRESSURE PHASE; II-VI COMPOUNDS; INELASTIC NEUTRONS; LOW ENERGIES; NEGATIVE THERMAL EXPANSION; PHONON DENSITY OF STATE; PHONON FREQUENCIES; PHONON SPECTRUM; POTENTIAL MODEL; PRESSURE DEPENDENCE; PSEUDOPOTENTIAL APPROACH; ROCK-SALT PHASE; SC16 PHASE; SOLID-SOLID PHASE TRANSITIONS; THERMODYNAMICALLY STABLE; TOTAL ENERGY CALCULATION; VIBRATIONAL PROPERTIES; ZINC-BLENDE;

CRYSTAL LATTICES; DENSITY FUNCTIONAL THEORY; INELASTIC NEUTRON SCATTERING; PHASE TRANSITIONS; PHONONS; SOLIDS; ZINC COMPOUNDS;

ZINC SULFIDE;

EID: 84858244927     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/11/115401     Document Type: Article

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