BaTiO 3  crystal structure phase transition caused by the Jahn‐Teller effect and the model of like‐hydrogen molecule‐ion (H       2    +    ) | Zendy

Zhang DuanMing | Zendy; Yu BoMing | Zendy; Li Yuan | Zendy; Zhang XinYu | Zendy; Lai JianJun | Zendy; Li Hua | Zendy

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BaTiO 3 crystal structure phase transition caused by the Jahn‐Teller effect and the model of like‐hydrogen molecule‐ion (H 2 + )

Author(s) -

Zhang DuanMing,

Yu BoMing,

Li Yuan,

Zhang XinYu,

Lai JianJun,

Li Hua

Publication year - 1996

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.2221970106

Subject(s) - jahn–teller effect , phase transition , ion , molecule , crystal (programming language) , phase (matter) , crystal structure , hydrogen , simple (philosophy) , materials science , charge (physics) , condensed matter physics , chemical physics , crystallography , chemistry , physics , quantum mechanics , organic chemistry , computer science , programming language , philosophy , epistemology

By utilizing the Jahn‐Teller effect, we discuss the structural phase transition of BaTiO 3 crystals. By taking into account the simple model of the like‐hydrogen molecule‐ion (H 2 + ) and the effective point charge, we compute the structural paraelectrical‐ferroelectrical phase transition temperature T c of BaTiO 3 . The theoretical value obtained is in good agreement with the experimental results.

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