Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal [Cr(H2O)(6)](3+) complex in GASH:Cr3+ and AlCl3 center dot 6H(2)O:Cr3+ systems at different temperatures

doi:10.1002/pssb.200945396

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	Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal [Cr(H2O)(6)](3+) complex in GASH:Cr3+ and AlCl3 center dot 6H(2)O:Cr3+ systems at different temperatures
	Li, Yan-Fang 1; Kuang, Xiao-Yu 1,2; Wang, Su-Juan 1; Lu, Cheng 1; Duan, Mei-Ling 1
刊名	PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
	2010-02-01
卷号	247 期号:2 页码:422-429
ISSN号	0370-1972
DOI	10.1002/pssb.200945396
通讯作者	Kuang, Xiao-Yu(scu_kuang@163.com)
英文摘要	The electron paramagnetic resonance (EPR) parameters and local structure of the octahedral [Cr(H2O)(6)](3+) complex for Cr3+ doped in GASH and AlCl3 center dot 6H(2)O crystals with trigonal symmetry have been studied on the basis of the 120 x 120 complete energy matrices, respectively. By simulating the EPR and optical spectra, the local structure distortion parameters are determined in the temperature range of 4.2-297 K. The calculated results show that the local structure of [Cr(H2O)(6)](3+) octahedron exhibits an elongated distortion and the value of distortion depends on the temperature. Furthermore, the interrelation between the g-factors and orbit-reduction factor k has been studied, and the influence of the local structure on the EPR parameters has also been discussed. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
资助项目	National Natural Science Foundation of China[10774103] ; National Natural Science Foundation of China[10974138] ; Education Ministry of China[200506 10011]
WOS研究方向	Physics
语种	英语
出版者	WILEY-BLACKWELL
WOS记录号	WOS:000274607500030
资助机构	National Natural Science Foundation of China ; Education Ministry of China
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/100925]
专题	金属研究所_中国科学院金属研究所
通讯作者	Kuang, Xiao-Yu
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Li, Yan-Fang,Kuang, Xiao-Yu,Wang, Su-Juan,et al. Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal [Cr(H2O)(6)](3+) complex in GASH:Cr3+ and AlCl3 center dot 6H(2)O:Cr3+ systems at different temperatures[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,2010,247(2):422-429.
APA	Li, Yan-Fang,Kuang, Xiao-Yu,Wang, Su-Juan,Lu, Cheng,&Duan, Mei-Ling.(2010).Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal [Cr(H2O)(6)](3+) complex in GASH:Cr3+ and AlCl3 center dot 6H(2)O:Cr3+ systems at different temperatures.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,247(2),422-429.
MLA	Li, Yan-Fang,et al."Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal [Cr(H2O)(6)](3+) complex in GASH:Cr3+ and AlCl3 center dot 6H(2)O:Cr3+ systems at different temperatures".PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 247.2(2010):422-429.