| LiF和AgCl中四角的V~(2+)中心的缺陷结构研究 |
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| 引用本文： | 高秀英,邬劭轶,魏望和,颜微子. LiF和AgCl中四角的V~(2+)中心的缺陷结构研究[J]. 电子科技大学学报(社会科学版), 2006, 0(4) |
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| 作者姓名： | 高秀英 邬劭轶 魏望和 颜微子 |
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| 作者单位： | 电子科技大学物理电子学院 成都610054 |
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| 摘 要： | 基于离子簇近似下四角场中3d3离子EPR参量的微扰公式,通过配位场方法对LiF和AgCl中四角V2 中心的缺陷结构和EPR参量进行了理论研究,提出V2 在LiF和AgCl中的缺陷结构模型,即处于杂质离子与C4轴方向上VC间的配体将由于VC的静电排斥作用而朝靠近杂质离子的方向上位移一段距离?Z。根据上述缺陷结构模型得到的EPR参量理论值与实验值吻合较好。
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| 关 键 词： | 缺陷结构 电子顺磁共振 晶体场和配位场理论 重叠模型 |
Investigations on the Defect Structures for the Tetragonal V~(2+) Centers in LiF and AgCl |
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| GAO Xiu-ying,WU Shao-yi,WEI Wang-he,YAN We-izi. Investigations on the Defect Structures for the Tetragonal V~(2+) Centers in LiF and AgCl[J]. Journal of University of Electronic Science and Technology of China(Social Sciences Edition), 2006, 0(4) |
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| Authors: | GAO Xiu-ying WU Shao-yi WEI Wang-he YAN We-izi |
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| Abstract: | The defect structures for the tetragonal V2 centers in LiF and AgCl are theoretically studied from the perturbation formulas of the Electron Paramagnetic Resonance (EPR) parameters for a 3d3 ion in tetragonal symmetry based on the cluster approach. The structure model proposed in this work suggests that the ligand intervening in the impurity V2 and the next-nearest-neighbouring cation vacancy (VC) in the C4 axis is expected to suffer an off-center displacement ?Z towards the former due to electrostatic repulsion. The theoretical EPR parameters based on the above defect structures show a good agreement with the observed values. |
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| Keywords: | defect structures electron paramagnetic resonance crystal-and ligand fields superposition model |
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