| Al2O3:V2+晶体自旋哈密顿参量的理论解释 |
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| 引用本文： | 魏群.Al2O3:V2+晶体自旋哈密顿参量的理论解释[J].人工晶体学报,2006,35(2):224-227,236. |
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| 作者姓名： | 魏群 |
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| 作者单位： | 宝鸡文理学院物理系,宝鸡,721007 |
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| 基金项目： | 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 |
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| 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。
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| 关 键 词： | Al2O3:V2 晶体 自旋哈密顿参量 局域结构 |
| 文章编号： | 1000-985X（2006）02-0224-04 |
| 收稿时间： | 2005-10-20 |
| 修稿时间： | 2005-10-20 |
Theoretical Interpretation of Spin-Hamiltonian Parameters for Al2O3:V2+ Crystal |
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| WEI Qun.Theoretical Interpretation of Spin-Hamiltonian Parameters for Al2O3:V2+ Crystal[J].Journal of Synthetic Crystals,2006,35(2):224-227,236. |
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| Authors: | WEI Qun |
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| Institution: | Department of Physics, Baoji University of Arts and Science, Baoji 721007, China |
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| Abstract: | 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 orbitorbit(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 C_3 axis,respectively.The calculated results show a good agreement with the observed values. |
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| Keywords: | Al_2O_3:V~(2 ) crystal spin-Hamiltonian parameters local structure |
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