摘要
比较全面地介绍了A(B'1/3B″2/3)O3型复合钙钛矿系化合物的有序结构及其对介电性能的影响,阐明了1∶2长程有序、1∶1短程有序形成的机理及其特征。1∶2有序是B'与B″离子以“B'∶B″∶B″…”的比例沿<111>方向交替排列;而1∶1有序是B'和B″离子沿<111>方向呈1∶1层状交替排列,一般认为B位离子形成(B'2/3B″1/3)1/2∶B″1/2为1∶1的混合型有序排列,即沿<111>方向,(B'2/3B″1/3)1/2和B″1/2呈相间层状排列;长程有序和短程有序可同时存在并在一定条件下相互转化。介绍了对A(B'1/3B″2/3)O3型复合钙钛矿系化合物有序结构的理论研究成果:静电模型和第一性原理。
The ordering behavior and the effect of structure on the dielectric properties of A(B′1/3B″2/3)O3-type complex perovskite compounds were introduced in this paper.The mechanisms and the characteristics of the behavior of B-site 1∶2(LRO)and 1∶1(SRO) ordering were discussed.1∶2 order is that B′and B″anions are arrayed along reciprocal〈111〉with “B′∶B″∶B″…;while 1∶1 order,arrayed with (B′2/3B″1/3)1/2∶B″1/2=1∶1 along 〈111〉direction.These two can exist together and be replaced by each other.Besides,the theoretical achievements on this subject were also introduced,such as the electrostatic model and the first-principle theory.
出处
《硅酸盐通报》
CAS
CSCD
北大核心
2005年第1期65-69,75,共6页
Bulletin of the Chinese Ceramic Society
关键词
离子
有序结构
化合物
排列
第一性原理
一般
方向
复合钙钛矿
层状
介电性能
A(B'_(1/3)B″_(2/3))O_3-type complex perovskite compounds structure 1∶2 order 1∶1 order electrostatic model the First-Principle Theory
