摘要
本文用完全对角化方法研究了３ｄ３组态在ＭｇＴｉＯ３：Ｃｒ３＋晶体中的零场分裂参量Ｄ．结果表明：Ｃｒ３＋（１）占位可以解释为Ｃｒ３＋Ｍｇ－Ｔｉ４＋Ｔｉ，同时Ｃｒ３＋沿着Ｃ３轴远离向八面体中心移动０．０５±０．０１；Ｃｒ３＋（２）占位为Ｃｒ３＋Ｍｇ－Ｍｇ２＋Ｔｉ，Ｃｒ３＋向八面体中心移动０．０９±０．０１，这与前人用微扰公式得到的结果一致．本文同时还指出Ｃｒ３＋（１）占位的另一种解释，即Ｍｇ２＋Ｍｇ－Ｃｒ３＋Ｔｉ，向八面体中心移动０．０７５±０．
EPR parameters D are studied for Cr 3+ ions in MgTiO 3:Cr 3+ by using the complete matrix diagonalization method within the 3d 3 configuration. The results show that the form of site related to Cr 3+ (1) could be Cr 3+ Mg Ti 4+ Ti , and the Cr 3+ (1) ion moves along the C 3 axis 0.05±0.01 further away from the centre of the octahedron;the form of site related to Cr 3+ (2) should be Cr 3+ Mg Mg 2+ Ti and the Cr 3+ (2) ion moves 0.09±0.01 towards the centre of the octahedron, which agree well with the results obtained from the perturbation method in the previons work. For Cr 3+ (1) ion, this work suggests that another form may be Mg 2+ Mg Cr 3+ Ti ,and that the Cr 3+ (1) ion moves 0.075±0.01 towards the centre of the octahedron.
出处
《四川师范大学学报（自然科学版）》
CAS
CSCD
1997年第4期69-72,共4页
Journal of Sichuan Normal University（Natural Science）
基金
四川省应用基础专项基金
四川省教委重点项目基金
关键词
MGTIO3
晶体
占位
零场分裂
掺铬
MgTiO 3:Cr 3+ , Substitution position, Zero field splitting
