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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| Authors: | LIU Hong-Gang WU Xiao-Xuan ZHENG Wen-Chen |
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| Institution: | Department of Material Science, Sichuan University, Chengdu 610064, China Department of Material Science, Sichuan University, Chengdu 610064, China;Department of Physics, Civil Aviation Flying Institute of China, Guanghan 618307, China;International Centre for Materials Physics, the Chinese Academy of Sciences, Shenyang 110016, China Department of Material Science, Sichuan University, Chengdu 610064, China;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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