First-principles study of structural, electronic and optical properties of BaF2 in its cubic, orthorhombic and hexagonal phases

Journal of Physics Condensed Matter

Volumn 15, Issue 4, 2003, Pages 709-718

  Jiang, Huitian ^a   Pandey, Ravindra ^a   Darrigan, Clovis ^b   Rérat, Michel ^b  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; EQUATIONS OF STATE OF SOLIDS; HIGH PRESSURE EFFECTS IN SOLIDS; LATTICE CONSTANTS; OPTICAL PROPERTIES; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

ATOMIC ORBITALS; BARIUM FLUORIDE; DIRECT GAP MATERIALS; HEXAGONAL PHASES;

BARIUM COMPOUNDS;

EID: 0037419979     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/15/4/310     Document Type: Article

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