Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems

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	Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems
	J. F. Li; X. Y. Kuang; A. J. Mao
	2010
发表期刊	Journal of Luminescence
ISSN	0022-2313
卷号	130 期号:3 页码:451-454
摘要	By analyzing the EPR spectra of Fe(3+) ion in the fluorinde glasses, the local lattice structures around impurity Fe(3+) ion in MF(3):Fe(3+) (M = Al, Ga) systems have been studied by means of diagonalizing the complete energy matrices of the electron-electron repulsion, the ligand-field and the spin-orbit coupling for a d(5) configuration ion in a trigonal ligand-field. Both the second-order and fourth-order EPR parameters D and (a-F) are taken simultaneously in the structural investigation. The results indicate that the local lattice structure around octahedral Fe(3+) center has an expansion distortion for Fe(3+) in MF(3):Fe(3+) (M = Al, Ga). The expansion distortion may be ascribed to the fact that the radius of Fe(3+) ion is larger than that of Al(3+) ion and Ga(3+) ion, and the Fe(3+) ion will push the fluoride ligands upwards and downwards, respectively. The local lattice structure parameters R = 1.927 A, theta = 55.538 degrees for Fe(3+) in AlF(3):Fe(3+) and R=1.931 A, theta = 56.09 degrees for Fe(3+) in GaF(3):Fe(3+) are determined, respectively, and the EPR spectra of the MF(3):Fe(3+) (M = Al, Ga) systems are satisfactorily explained. (C) 2009 Elsevier B.V. All rights reserved.
部门归属	[li ju-fen] sw petr univ, sch sci, chengdu 610065, peoples r china. [kuang xiao-yu; mao ai-jie] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang xiao-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;li, jf (reprint author), sw petr univ, sch sci, chengdu 610065, peoples r china;scu_ljf@163.com scu_kxy@163.com
关键词	Mf(3):Fe(3+) (m = Al Ga) System Local Lattice Structure Distortion Epr Spectrum Ligand-fields Theory Electron-paramagnetic-resonance Fluoride Glasses Field Fe-3++
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31218
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. F. Li,X. Y. Kuang,A. J. Mao. Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems[J]. Journal of Luminescence,2010,130(3):451-454.
APA	J. F. Li,X. Y. Kuang,&A. J. Mao.(2010).Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems.Journal of Luminescence,130(3),451-454.
MLA	J. F. Li,et al."Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems".Journal of Luminescence 130.3(2010):451-454.