YAlO_3的体色与缺陷平衡的关系（英文）  

Correlation Between the Body Color of YAlO_3 and Its Defect Equilibrium

作　　者：刘勇[1] 刘天慧[1] 毕淑娴[2] 安炜[3] 李国宝[4] 田光善[3] 焦桓[1] 荆西平[4] 

机构地区：[1]陕西省大分子科学重点实验室陕西师范大学化学与化工学院,西安710062 [2]宁夏大学化学化工学院,银川750021 [3]北京大学物理学院,北京100871 [4]稀土材料化学与应用国家重点实验室北京大学化学与分子工程学院,北京100871

出　　处：《无机化学学报》2016年第3期491-498,共8页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金(No.21371015)资助项目

摘　　要：利用固相扩散法在1 450℃下制备了YAl O_3粉末样品和陶瓷片样品,并在不同温度和不同气氛(air,O_2or N_2)下对样品进行退火处理调制了其缺陷浓度。基于漫反射光谱和交流阻抗谱分析了YAl O_3样品的体色与其缺陷浓度之间的关系。研究结果表明YAl O_3具有p型导电机理,其浅棕色体色是由阳离子空位引起的。在高温和氮气氛下处理该材料其缺陷浓度减少,体色变浅。第一性原理计算结果认为YAl O_3中的主要缺陷应该是铝空位V_(Al~×)。Powder and pellet samples of YAl O3 with various defect concentrations were prepared using conventional solid state reactions at 1 450 ℃, followed by annealing in air, O2 or N2atmospheres at various temperatures. The correlation between the body-color of the samples and the defect equilibria was investigated by diffuse-reflection spectra and AC impedance data. The results indicate that YAl O3 has p-type conduction and its light-brown body-color is caused by the cation vacancies. Annealing YAl O3 at high temperature in N2 atmosphere may reduce the defect concentration and the body-color. By the first-principle calculations, it is proposed that the Al vacancies V（Al~×）may be the dominant defects in YAlO3.

关 键 词：YAlO3 体色 阳离子空位 漫反射光谱 交流阻抗谱 

分 类 号：O614.511[理学—无机化学]