Research on the optical spectra, g factors and defect structures for two tetragonal Y2+ centers in the irradiated CaF2:Y crystal

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	Research on the optical spectra, g factors and defect structures for two tetragonal Y2+ centers in the irradiated CaF2:Y crystal
	W. C. Zheng; Y. Mei; Y. G. Yang; H. G. Liu
	2012
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	97 页码:648-651
摘要	Based on the defect models that the tetragonal Y2+ (1) center in the irradiated CaF2: Y crystal is due to Y2+ at Ca2+ site associated with a nearest interstitial F- ion along C-4 axis and the tetragonal Y2+ (2) center is Y2+ at Ca2+ site where the tetragonal distortion is caused by the static Jahn-Teller effect, the two optical spectral bands and anisotropic g factors for both tetragonal Y2+ centers are calculated. The calculations are made by using two methods based on the cluster approach, one is the complete diagonalization (of energy matrix) method (CDM) and another is the perturbation theory method (PTM). The calculated results for each Y2+ center from CDM and PTM coincide and show reasonable agreement with the experimental values. The calculated isotropic g factor for Y2+ (2) center at higher temperature owing to the dynamical Jahn-Teller effect is also consistent with the observed value. The defect structures (i.e., tetragonal distortion) of the two Y2+ centers are obtained from the calculation. It appears that both theoretical methods can be applied to explain the optical and EPR data, to study the defect model and to determine the defect structures for d(1) ions in crystals. (C) 2012 Elsevier B.V. All rights reserved.
部门归属	[zheng, wen-chen; yang, yu-guang; liu, hong-gang] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [mei, yang] mianyang normal univ, sch phys & elect engn, mianyang 621000, peoples r china. [zheng, wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [mei, yang] caep, res ctr laser fus, mianyang 621000, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china.;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Crystal-field Theory Defect Structures Optical Spectroscopy Caf2 Y2++ Spin-hamiltonian Parameters Atomic Screening Constants Theoretical Calculations Superposition Model Laser Applications Fluorite Crystals Srf2 Crystals Scf Functions Ions Distortions
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60505
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,Y. Mei,Y. G. Yang,et al. Research on the optical spectra, g factors and defect structures for two tetragonal Y2+ centers in the irradiated CaF2:Y crystal[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2012,97:648-651.
APA	W. C. Zheng,Y. Mei,Y. G. Yang,&H. G. Liu.(2012).Research on the optical spectra, g factors and defect structures for two tetragonal Y2+ centers in the irradiated CaF2:Y crystal.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,97,648-651.
MLA	W. C. Zheng,et al."Research on the optical spectra, g factors and defect structures for two tetragonal Y2+ centers in the irradiated CaF2:Y crystal".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 97(2012):648-651.