摘要
采用有效点电荷模型,只取一维O-Ti-O链构成系统的振动哈密顿量,在仅计及与极化方向相关的Jahn-Teller效应影响下,得到BaTiO_3的软模相变温度T_0为100℃,大体相当BaTiO_3的顺电-铁电相变温度.
A one-dimensional symmetrical chain O-Ti-O has been used to construct the Hamiltoni-an of the BaTiO3 system with the model of effective point charge. By taking into account only the Jahn-Teller effect relative to the polarization direction [0 0 1],it has been found that the soft mode phase transition temperature Tc of the BaTiO3 system is 100℃. This theoretically obtained temperature is roughly consistent with that (120 ℃) of the paraelectrical phase-fer-roelectrical phase transition.
出处
《华中理工大学学报》
CSCD
北大核心
1993年第6期160-165,共6页
Journal of Huazhong University of Science and Technology
关键词
结构相变
钛酸钡
J-T效应
Jahn-Teller effect
soft mode phase transition temperature Tc
structural phase transition
electron-phonon interaction (coupling)
