摘要
在考虑微小磁相互作用(包括SS、SOO和OO作用)的基础上,采用全组态完全对角化方法,建立了A l2O3晶体中V2+离子的局域结构与自旋哈密顿参量定量关系,对A l2O3:V2+晶体基态和激发态零场分裂以及基态g因子等自旋哈密顿(SH)参量给出了统一的解释。结果表明,V2+离子进入A l2O3晶体后,上下配体氧平面分别沿C3轴向远离三角中心的方向移动了0.0021nm和0.0020nm。理论计算结果与实验值符合甚好。
The zero-field splitting, g factor of ground state and the zero-field splitting of first excited state were interpreted by complete diagonalization method (CDM) and Newman crystal-field superposition model on the basis of considering the spin-spin (SS) interaction, spin-other-orbit (SOO) interaction and orbit-orbit(OO) interactions. This study shows that the upper and lower oxygen planes move outward the center of impurity V^2+ ion 0. 0021nm and 0. 0020nm along the C3 axis, respectively. The calculated results show a good agreement with the observed values.
出处
《人工晶体学报》
EI
CAS
CSCD
北大核心
2006年第2期224-227,236,共5页
Journal of Synthetic Crystals
基金
陕西省教育厅专项科研计划项目(05JK139)
宝鸡文理学院重点科研项目