Comparative first-principles study of ATiO3 perovskite oxides (A = Ba, Sr, and Pb)

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

Volumn 46, Issue 3 A, 2007, Pages 1067-1070

  Kawanishi, Hironori ^a   Ishizumi, Keisuke ^a   Takahashi, Isao ^a   Terauchi, Hikaru ^a   Hayafuji, Yoshinori ^a  

^a KWANSEI GAKUIN UNIVERSITY   (Japan)

Author keywords

BaTiO3; Covalent interaction; Electronic structures; First principles; PbTiO3; Perovskite oxides; Phase transition; SrTiO3

Indexed keywords

FERROELECTRIC MATERIALS; MOLECULAR ORBITALS; PEROVSKITE; PHASE TRANSITIONS;

COVALENT INTERACTION; FIRST-PRINCIPLES; PEROVSKITE OXIDES;

ELECTRONIC STRUCTURE;

EID: 34547883223     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.46.1067     Document Type: Article

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