First principles study of electronic structure, chemical bonding and elastic properties of BiOCuS

Transactions of Nonferrous Metals Society of China (English Edition)

Volumn 22, Issue 5, 2012, Pages 1197-1202

  Pan, Liu Xian ^a   Xia, Qing Lin ^b   Ye, Shao Long ^b   Ding, Ning ^a   Liu, Zi Ran ^a  

^a HUNAN INTERNATIONAL ECONOMICS UNIVERSITY   (China)

^b CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

BiOCuS; chemical bonding; elastic properties; electronic structures; first principles

Indexed keywords

BIOCUS; CHEMICAL BONDINGS; DENSITY OF STATE; ELASTIC PROPERTIES; FIRST PRINCIPLES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; INDIRECT SEMICONDUCTOR; IONIC CHARACTER; MECHANICALLY STABLE; PARTIAL DENSITY OF STATE; POPULATION ANALYSIS; TETRAGONAL PHASE;

BAND STRUCTURE; ELASTIC MODULI; ELASTICITY; ELECTRONIC STRUCTURE;

CHEMICAL BONDS;

EID: 84861950776     PISSN: 10036326     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-6326(11)61305-8     Document Type: Article

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