Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study

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	Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study
	Li Yan-Fang 1; Kuang Xiao-Yu 1,2; Gao Ming-Liang 1; Zhao Ya-Ru 1; Wang Huai-Qian 1
通讯作者	Li Yan-Fang()
	2009-07-01
发表期刊	CHINESE PHYSICS B
ISSN	1674-1056
卷号	18 期号:7 页码:2967-2974
摘要	A simple theoretical method is introduced for studying the inter relation between electronic and molecular structures. By diagonalizing the 120x120 complete energy matrices, the relationships between zero-field splitting (ZFS) parameter D and local distortion parameter Delta theta for Cr3+ ions doped, separately, in alpha- and beta- alums are investigated. Our results indicate that there exists an approximately linear relationship between D and Delta theta in a temperature range 4.2-297 K and the signs of D and Delta theta are opposite to each other. Moreover, in order to understand the contribution of spin-orbit coupling coefficient zeta to ZFS parameter D, the relation between D and zeta is also discussed.
关键词	complete energy matrices electron paramagnetic resonance (EPR) spectra local structure
资助者	National Natural Science Foundation of China ; Doctoral Education Fund of Education Ministry of China
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10774103] ; Doctoral Education Fund of Education Ministry of China[20050610011]
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000267821200058
出版者	IOP PUBLISHING LTD
引用统计	被引频次：4[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/321006/98997
专题	中国科学院金属研究所
通讯作者	Li Yan-Fang
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Li Yan-Fang,Kuang Xiao-Yu,Gao Ming-Liang,et al. Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study[J]. CHINESE PHYSICS B,2009,18(7):2967-2974.
APA	Li Yan-Fang,Kuang Xiao-Yu,Gao Ming-Liang,Zhao Ya-Ru,&Wang Huai-Qian.(2009).Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study.CHINESE PHYSICS B,18(7),2967-2974.
MLA	Li Yan-Fang,et al."Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)(6)](3+) coordination complex in the sulfate alums series: a ligand field theory study".CHINESE PHYSICS B 18.7(2009):2967-2974.