First-principles calculations on the electronic and vibrational properties of β-V2O5

Chinese Physics B

Volumn 18, Issue 11, 2009, Pages 4988-4994

  Zhou, Bo ^a   Su, Qing ^a   He, De Yan ^a  

^a LANZHOU UNIVERSITY   (China)

Author keywords

V2O5; Ab initio; Density functional perturbation theory; Raman spectrum

Indexed keywords

AB INITIO; ACTIVE MODE; BAND GAPS; BRILLOUIN ZONES; DENSITY FUNCTIONAL PERTURBATION THEORY; DYNAMICAL PROPERTIES; EXPERIMENTAL DATA; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES APPROACHES; FIRST-PRINCIPLES CALCULATION; NONRESONANT; POWDER SAMPLES; RAMAN SPECTRUM; SPLIT-OFF BAND; THEORETICAL RESULT; TRANSVERSE OPTICAL; VIBRATIONAL PROPERTIES;

ELECTRONIC PROPERTIES; PERTURBATION TECHNIQUES; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

EID: 70449704152     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/11/062     Document Type: Article

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