Theoretical prediction on the structural, electronic, and polarization properties of tetragonal B12ZnTiO6

Journal of Applied Physics

Volumn 105, Issue 5, 2009, Pages

  Wang, Hai ^a   Huang, Haitao ^a   Lu, Wei ^a   Chan, Helen L W ^a   Wang, Biao ^b   Woo, C H ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b SUN YAT SEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; POLARIZATION; SEMICONDUCTOR MATERIALS;

B-SITE CATIONS; COVALENT BONDINGS; DENSITY-FUNCTIONAL THEORIES; FIRST-PRINCIPLES INVESTIGATIONS; GENERALIZED GRADIENT APPROXIMATIONS; HYBRIDIZATION EFFECTS; INDIRECT BAND GAPS; PHASE CALCULATIONS; POLARIZATION PROPERTIES; SEMICONDUCTOR BEHAVIORS; TETRAGONAL DISTORTIONS; TETRAGONALITY; THEORETICAL PREDICTIONS; THEORETICAL STRUCTURES; TWO-DIMENSIONAL; UNIT CELLS;

ZINC;

EID: 62549086114     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3086628     Document Type: Article

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