Premium
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.