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）

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...

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Bibliographic Details
Published in:Communications in theoretical physics 2006, Vol.46 (1), p.167-170
Main Author: LIU Hong-Gang WU Xiao-Xuan ZHENG Wen-Chen
Format: Article
Language:English
Subjects:
MX晶体
晶体配体场理论
电子顺磁共振
缺陷构造
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Summary: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.
ISSN:0253-6102