EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3

IMR OpenIR

	EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3; EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3
	W. Hui; K. Xiao-Yu; D. Dong; T. Xiao-Ming; Y. Xiong
	2006 ; 2006
发表期刊	Chemical Physics ; Chemical Physics
ISSN	0301-0104 ; 0301-0104
卷号	330 期号:1-2 页码:212-215
摘要	The optical absorption and EPR spectra of Fe3+ impurity ions doped in near stoichiometric LiNbO3 crystal are studied by diagonalizing the complete energy matrices for a d(5) configuration ion in a trigonal ligand-field. By analyzing the optical absorption and EPR spectra simultaneously, the distortion parameters Delta theta(1) = 3.42 degrees, Delta theta(2) = -7.22 degrees are determined for Li+ substitutional position supported by ENDOR experiments. The theoretical results indicate that there exists a compressed distortion in LiNbO3:Fe3+ system, which may be ascribed to the fact that the radius of Fe3+ ion is slightly smaller than that of the host ion. Meanwhile, the local structure parameters R-1 = 2.08A, R-2 = 1.91A, theta(1) = 47.99 degrees and theta(2) = 62.52 degrees for the octahedral Fe3+ center in LiNbO3 crystal are also determined, which are close to that of the alpha Fe2O3. The calculated transition energies of octahedral Fe3+ center in LiNbO3 are in good agreement with those of Fe3+ cations in other oxides due to the similar octahedral (FeO6)(9-) cluster. (c) 2006 Elsevier B.V. All rights reserved.; The optical absorption and EPR spectra of Fe3+ impurity ions doped in near stoichiometric LiNbO3 crystal are studied by diagonalizing the complete energy matrices for a d(5) configuration ion in a trigonal ligand-field. By analyzing the optical absorption and EPR spectra simultaneously, the distortion parameters Delta theta(1) = 3.42 degrees, Delta theta(2) = -7.22 degrees are determined for Li+ substitutional position supported by ENDOR experiments. The theoretical results indicate that there exists a compressed distortion in LiNbO3:Fe3+ system, which may be ascribed to the fact that the radius of Fe3+ ion is slightly smaller than that of the host ion. Meanwhile, the local structure parameters R-1 = 2.08A, R-2 = 1.91A, theta(1) = 47.99 degrees and theta(2) = 62.52 degrees for the octahedral Fe3+ center in LiNbO3 crystal are also determined, which are close to that of the alpha Fe2O3. The calculated transition energies of octahedral Fe3+ center in LiNbO3 are in good agreement with those of Fe3+ cations in other oxides due to the similar octahedral (FeO6)(9-) cluster. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china. xihua univ, inst appl phys, chengdu 610039, peoples r china.;xiao-yu, k (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com ; sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china. xihua univ, inst appl phys, chengdu 610039, peoples r china.;xiao-yu, k (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kxy@163.com
关键词	Epr And Optical Spectra Epr And Optical Spectra Linbo3 : Fe3++ System Linbo3 : Fe3++ System Local Lattice Structure Local Lattice Structure Lithium-niobate Lithium-niobate Single-crystals Single-crystals Doped Linbo3 Doped Linbo3 Fe-3++ Fe-3++ Resonance Resonance Site Site Substitution Substitution Coordination Coordination Field Field Model Model
URL	查看原文 ; 查看原文
WOS记录号	WOS:000242414500023 ; WOS:000242414500023
引用统计	被引频次：7[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/321006/34262
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Hui,K. Xiao-Yu,D. Dong,et al. EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3, EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3[J]. Chemical Physics, Chemical Physics,2006, 2006,330, 330(1-2):212-215, 212-215.
APA	W. Hui,K. Xiao-Yu,D. Dong,T. Xiao-Ming,&Y. Xiong.(2006).EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3.Chemical Physics,330(1-2),212-215.
MLA	W. Hui,et al."EPR spectra and local lattice structure of Fe3+ impurity ions in ferroelectric LiNbO3".Chemical Physics 330.1-2(2006):212-215.