钛酸钡陶瓷的光学响应与结构之间的关系研究

基于电子结构密度的第一性原理,对钛酸钡陶瓷立方结构和四方结构的电子密度、能带结构和光学特性进行计算与比较.在低能量状态下,光响应主要是从O 2p到Ti 3d的过渡.计算结果和实验数据与其他计算方式相比具有更好的吻合性.相比较于四方结构,立方结构的所有参数值向能量值降低或者参数值增加的方向移动.     

Dimension effects on the dielectric properties of fine BaTiO3 ceramics

It is found that the core-shell structured grains are easy to produce for fine grain doped BaTiO3 ceramics in the sintering process. We study the influence of the core-shell structure on the Curie–Weiss temperature and dielectric properties of BaTiO3 ceramics by using effective medium approximation(EMA). Considering the second approximation, the dielectric properties of fine grain doped BaTiO3 ceramics are consistent with experimental data.     

Dimension effects on the dielectric properties of fine BaTi03 ceramics

It is found that the core-shell structured grains are easy to produce for fine grain doped BaTiO3 ceramics in the sintering process. We study the influence of the core-shell structure on the Curie-Weiss temperature and dielectric properties of BaTiO3 ceramics by using effective medium approximation （EMA）. Considering the second approximation, the dielectric properties of fine grain doped BaTiO3 ceramics are consistent with experimental data.     

钛酸钡纳米颗粒铁电性临界尺寸的理论分析

从铁电体的Eular-Lagrange方程出发, 取贝塞尔方程级数解的形式, 得到了钛酸钡陶瓷颗粒的总极化强度表达式, 分析了各系数对总极化强度的影响. 根据总极化强度表达式, 采用MATLAB软件对尺寸在100 nm以下的钛酸钡纳米颗粒的铁电性进行了仿真分析. 结合实际数据探讨了尺寸效应对陶瓷颗粒铁电性的影响, 获得了与实验数据相符的数值解和极小值, 从而预测了钛酸钡纳米颗粒铁电性存在的临界尺寸为6 nm.