DFT study on elastic and piezoelectric properties of tetragonal BaTiO 3

Computational Materials Science

Volumn 49, Issue 4 SUPPL., 2010, Pages

  Meng, Xiangying ^a,b   Wen, Xiaohong ^b   Qin, Gaowu ^a  

^a NORTHEASTERN UNIVERSITY   (China)

^b NORTHEASTERN UNIVERSITY   (China)

Author keywords

Elastic constants; First principles calculations; Piezoelectric effects

Indexed keywords

BARIUM TITANATE; CALCULATIONS; ELASTIC CONSTANTS; PIEZOELECTRICITY;

DFT STUDY; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HOMOGENEOUS DEFORMATION; PIEZOELECTRIC PROPERTY; THEORETICAL METHODS;

DENSITY FUNCTIONAL THEORY;

EID: 79953204520     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.04.026     Document Type: Conference Paper

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