| Theoretical Studies of g Factors and Defect Structures for Cubic, Tetragonal, and Orthorhombic Fe^＋ Centers in Alkali Halides MX （M=Li, Na; X = F, C1） |
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| 作者姓名： | LIU Hong-Gang WU Xiao-Xuan ZHENG Wen-Chen |
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| 作者单位： | [1]Department of Material Science, Sichuan University, Chengdu 610064, China [2]Department of Physics, Civil Aviation Flying Institute of China, Guanghan 618307, China [3]International Centre for Materials Physics, the Chinese Academy of Sciences, Shenyang 110016, China |
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| 基金项目： | The project supported by National Natural Science Foundation of China under Grant No. 10274054 |
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| 摘 要： | The EPR 9 factors for cubic, tetragonal and orthorhombic Fe^＋ centers in alkali halides MX （M= Li, Na; X = F, CI） are calculated from second-order perturbation formulas of g factors based on cluster approach for 3d^7 ions in three symmetries. From calculations, the g factors of these Fe^＋ centers in MX crystals are reasonably explained and the defect structural data for the tetragonal and orthorhombic Fe^＋ centers are estimated. The results are discussed.
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| 关 键 词： | 晶体配体场理论 电子顺磁共振 缺陷构造 MX晶体 |
| 收稿时间： | 2005-10-19 |
| 修稿时间： | 2005-10-19 |
Theoretical Studies of g Factors and Defect Structures for Cubic,Tetragonal, and Orthorhombic
Fe+ Centers in Alkali Halides MX (M=Li,Na; X=F,Cl) |
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| LIU Hong-Gang WU Xiao-Xuan ZHENG Wen-Chen.Theoretical Studies of g Factors and Defect Structures for Cubic,Tetragonal, and Orthorhombic
Fe+ Centers in Alkali Halides MX (M=Li,Na; X=F,Cl)[J].Communications in Theoretical Physics,2006,46(1):167-170. |
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| Authors: | LIU;Hong-Gang;WU;Xiao-Xuan;ZHENG;Wen-Chen |
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| Institution: | 1. Department of Material Science, Sichuan University, Chengdu 610064, China
;2. Department of Physics, Civil Aviation Flying Institute of China, Guanghan 618307, China
;3. International Centre for Materials Physics, the Chinese
Academy of Sciences, Shenyang 110016, China |
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| Abstract: | The EPR g factors for cubic, tetragonal and orthorhombic Fe+ centers in alkali halides MX (M=Li, Na; X=F, Cl) are calculated from second-order perturbation formulas of g factors based
on cluster approach for
3d7 ions in three symmetries.
From calculations, the g factors of these Fe+ centers in
MX crystals are reasonably explained and the defect structural data for the tetragonal and orthorhombic
Fe+ centers are estimated.
The results are discussed. |
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| Keywords: | crystal- and ligand-field theory electron paramagnetic resonance defect structure |
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