Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(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(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study
	Y. F. Li; X. Y. Kuang; M. L. Gao; Y. R. Zhao; H. Q. Wang
	2009
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 Cr(3+) 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.
部门归属	[li yan-fang; kuang xiao-yu; gao ming-liang; zhao ya-ru; wang huai-qian] 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, yf (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kuang@163.com
关键词	Complete Energy Matrices Electron Paramagnetic Resonance (Epr) Spectra Local Structure Ground-state Spin-resonance Group Disorder Alpha-alums Metal Ions Temperature Pressure Crystals Cation Epr
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32047
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. F. Li,X. Y. Kuang,M. L. Gao,et al. Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study[J]. Chinese Physics B,2009,18(7):2967-2974.
APA	Y. F. Li,X. Y. Kuang,M. L. Gao,Y. R. Zhao,&H. Q. Wang.(2009).Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study.Chinese Physics B,18(7),2967-2974.
MLA	Y. F. Li,et al."Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study".Chinese Physics B 18.7(2009):2967-2974.