| 三角晶场中4A2(3d3)态离子全组态EPR理论研究 |
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| 引用本文： | 杨子元.三角晶场中4A2(3d3)态离子全组态EPR理论研究[J].化学物理学报(中文版),2000,13(2):190-196. |
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| 作者姓名： | 杨子元 |
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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： | 陕西省教育厅资助项目，陕西省自然科学基金 |
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| 摘 要： | 在中间场耦合图像中,建立了4A2(3d3)态离子全组态EPR理论;研究了EPR参量随三角晶场参量V、V′及立方晶场参量Dq变化关系;用完全对角化方法验证了MacfarlaneEPR参量的三阶微扰公式,结果表明,在较大的晶场范围内微扰公式的收敛性很好;研究了EPR参量的微观起源及自旋二重态对EPR参量的贡献,指出自旋二重态对零场分裂参量的贡献不可忽略,二重态对g因子的贡献甚微.
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| 关 键 词： | 4A2(3d3)离子 全组态EPR理论 微扰公式 自旋二重态 |
Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field |
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| Yang Ziyuan.Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field[J].化学物理学报(中文版),2000,13(2):190-196. |
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| Authors: | Yang Ziyuan |
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| Abstract: | The EPR theory of the full configuration has been established for a 4A2(3d3) state ion in the intermediate crystal field scheme. The EPR parameters are investigated in detail as functions of the cubic Dq and the trigonal crystal parameters V and V', the analytical perturbation expressions for the ZFS parameters D and Zeeman g factor are examined based on simultaneous diagonalization and find that Macfarlane's expressions work well indeed. The microcosmic origin of the EPR parameters have been studied, and indicates that the contribution of the spin doublets for the ZFS parameter D is very important, and for the ground state g factor it can be omitted. |
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| Keywords: | 4A2(3d3) state ion Full configuration EPR theory Perturbation expression Spin doublets |
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