Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M = Al, Ga) systems

doi:10.1016/j.jlumin.2009.10.011

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	Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M = Al, Ga) systems
	Li Ju-Fen 1; Kuang Xiao-Yu 2,3; Mao Ai-Jie 2
通讯作者	Li Ju-Fen(scu_ljf@163.com)
	2010-03-01
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 Fe3+ ion in the fluorinde glasses, the local lattice structures around impurity Fe3+ ion in MF3:Fe3+ (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 Fe3+ center has an expansion distortion for Fe3+ in MF3:Fe3+ (M = Al, Ga). The expansion distortion may be ascribed to the fact that the radius of Fe3+ ion is larger than that of Al3+ ion and Ga3+ ion, and the Fe3+ ion will push the fluoride ligands upwards and downwards, respectively. The local lattice structure parameters R = 1.927 A, theta = 55.538 degrees for Fe3+ in AlF3:Fe3+ and R=1.931 A, theta = 56.09 degrees for Fe3+ in GaF3:Fe3+ are determined, respectively, and the EPR spectra of the MF3:Fe3+ (M = Al, Ga) systems are satisfactorily explained. (C) 2009 Elsevier B.V. All rights reserved.
关键词	MF3:Fe3+ (M = Al, Ga) system Local lattice structure distortion EPR spectrum Ligand-fields theory
资助者	National Natural Science Foundation ; Doctoral Education Fund of Education Ministry of China
DOI	10.1016/j.jlumin.2009.10.011
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation[10374068] ; Doctoral Education Fund of Education Ministry of China[20050610011]
WOS研究方向	Optics
WOS类目	Optics
WOS记录号	WOS:000273914900019
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/101197
专题	中国科学院金属研究所
通讯作者	Li Ju-Fen
作者单位	1.SW Petr Univ, Sch Sci, Chengdu 610065, Peoples R China 2.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Li Ju-Fen,Kuang Xiao-Yu,Mao Ai-Jie. Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M = Al, Ga) systems[J]. JOURNAL OF LUMINESCENCE,2010,130(3):451-454.
APA	Li Ju-Fen,Kuang Xiao-Yu,&Mao Ai-Jie.(2010).Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M = Al, Ga) systems.JOURNAL OF LUMINESCENCE,130(3),451-454.
MLA	Li Ju-Fen,et al."Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M = Al, Ga) systems".JOURNAL OF LUMINESCENCE 130.3(2010):451-454.