First principles calculation of optical properties of BaWO4: A study by full potential method

Physica B: Condensed Matter

Volumn 405, Issue 21, 2010, Pages 4530-4535

  Tyagi, Mohit ^a   Singh, S G ^a   Chauhan, A K ^a   Gadkari, S C ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

Density functional theory; Electronic structure; Optical properties; Raman shifter

Indexed keywords

CALCULATED VALUES; CATIONIC STATE; DIRECT BAND GAP; ENERGY BANDGAPS; FIRST-PRINCIPLES CALCULATION; FRAME-WORK; FREQUENCY DEPENDENCE; FULL POTENTIAL-LINEARIZED AUGMENTED PLANE WAVES; NEGATIVE CRYSTALS; PLASMON ENERGY; POTENTIAL METHODS; RAMAN SHIFTERS; UNIAXIAL ANISOTROPY;

DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; TUNGSTATE MINERALS;

OPTICAL PROPERTIES;

EID: 77957103568     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.08.032     Document Type: Article

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