First-principles calculations of novel sillenite compounds Bi 24M 2O 40 (M=Se or Te)

Rare Metals

Volumn 30, Issue SUPPL.1, 2011, Pages 135-139

  Deng, Hongyan ^a   Hao, Weichang ^a   Xu, Huaizhe ^a  

^a BEIHANG UNIVERSITY   (China)

Author keywords

Band decomposed electron densities; Band structures; PDOS; Sillenite

Indexed keywords

ANTI-BONDING STATE; ANTIBONDING INTERACTIONS; ELECTRON DENSITIES; FIRST-PRINCIPLES CALCULATION; PDOS; PHOTOCATALYTIC APPLICATION; SILLENITE; SILLENITES;

BAND STRUCTURE; BISMUTH COMPOUNDS; CALCULATIONS; CARRIER CONCENTRATION; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; FERMI LEVEL;

ELECTRONS;

EID: 84862925074     PISSN: 10010521     EISSN: 18677185     Source Type: Journal    
DOI: 10.1007/s12598-011-0255-z     Document Type: Article

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