Modification of local electronic structures due to phase transition in perovskite-type oxides, SrBO3 (B=Zr, Ru, Hf)

Materials Transactions

Volumn 45, Issue 7, 2004, Pages 2056-2061

  Yoshino, Masahito ^a   Yukawa, Hiroshi ^a   Morinaga, Masahiko ^a  

^a NAGOYA UNIVERSITY   (Japan)

Author keywords

BaTiO3; Molecular orbital method; Perovskite type oxide; Phase transition; SrHfO3; SrRuO 3; SrZrO3

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL STRUCTURE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PEROVSKITE; PHASE TRANSITIONS;

COVALENT INTERACTION; MOLECULAR ORBITAL METHODS; POLYMORPHOUS PHASES; STRUCTURAL STABILITY;

ELECTRONIC STRUCTURE;

EID: 4544311835     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.45.2056     Document Type: Conference Paper

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