Theoretical investigations of optical spectra and electron paramagnetic resonance spectra of LiCl:Ni2+ crystals

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	Theoretical investigations of optical spectra and electron paramagnetic resonance spectra of LiCl:Ni2+ crystals
	W. Fang ; H. Y. Tang ; W. D. Cheng ; W. C. Zheng
刊名	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
	2012
卷号	99 页码:342-346
关键词	Optical spectra Electron paramagnetic resonance (EPR) Charge transfer mechanism Local structure Ni2+ spin resonance field analysis ni2+ ions transition licl absorption parameters complexes terms shift
ISSN号	1386-1425
中文摘要	The complete energy matrices (45 x 45) including low symmetry ligand field (C-4v) and Coulomb interactions for 3d(8) ions have been constructed, and the high-order perturbation formulas of spin-Hamiltonian (SH) parameters g factors g(parallel to), g(perpendicular to) and zero-field splitting (ZFS) parameter D for ground state (3)A(2g) of the 3d(8) ions in the tetragonal symmetry environment have been derived. In those formulas both the crystal field (CF) mechanism and the charge transfer (CT) mechanism are taken into account. The complete energy matrices and the high-order perturbation formulas are applied to calculate the energy levels and SH parameters of the Ni2+ ion in LiCl crystal respectively. The results are in reasonable agreement with the experimental data and indicate that a mechanism plays important role in the understanding of SH parameters, especially the g factors. All the multiplet energy are assigned theoretically and the local structures of LiCl:Ni2+ are established. (C) 2012 Elsevier B.V. All rights reserved.
原文出处	://WOS:000311814300047
公开日期	2013-02-05
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/59939]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Fang,H. Y. Tang,W. D. Cheng,et al. Theoretical investigations of optical spectra and electron paramagnetic resonance spectra of LiCl:Ni2+ crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2012,99:342-346.
APA	W. Fang,H. Y. Tang,W. D. Cheng,&W. C. Zheng.(2012).Theoretical investigations of optical spectra and electron paramagnetic resonance spectra of LiCl:Ni2+ crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,99,342-346.
MLA	W. Fang,et al."Theoretical investigations of optical spectra and electron paramagnetic resonance spectra of LiCl:Ni2+ crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 99(2012):342-346.