Structural, elastic, and electronic properties of orthorhombic NH 3BH 3: An ab initio study

Physica B: Condensed Matter

Volumn 407, Issue 4, 2012, Pages 565-570

  Song, Qi ^a   Hou, Yu Qing ^a   Li, Li Sha ^a   Jiang, Zhen Yi ^a   Zhou, Bo ^a   Zhang, Xiao Dong ^a  

^a NORTHWEST UNIVERSITY   (China)

Author keywords

Ab initio calculations; Elastic constants; Electronic structure; NH 3BH 3

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; B ATOMS; DENSITY OF STATE; ELASTIC ANISOTROPY; GENERALIZED GRADIENT APPROXIMATIONS; NH 3BH 3; ORTHORHOMBIC PHASE; PLANE-WAVE PSEUDO-POTENTIAL; WIDE-GAP SEMICONDUCTOR;

CALCULATIONS; COVALENT BONDS; DEBYE TEMPERATURE; ELASTIC CONSTANTS; ELECTRONEGATIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE;

ATOMS;

EID: 84855871995     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.10.019     Document Type: Article

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