Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems

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	Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems
	W. Y. Tian; X. Y. Kuang; M. L. Duan; R. P. Chai; C. X. Zhang
	2009
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	404 期号:21 页码:4332-4336
摘要	A theoretical method for studying the inter-relation between electronic and molecular structure has been proposed based on the complete energy matrices for a d(3) configuration ion in a tetragonal ligand-field. By means of this method, the local structure for Cr(3+) ion doped in oxides TiO(2) (anatase) and MgO has been determined. The calculated results indicate that the local structure of the (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems exists as a compressed distortion relative to the regular octahedron. Meanwhile, the dependence of the EPR zero-field splitting parameter D on the local structure parameter Delta R (Delta R = R(1)-R(2)) has been revealed. In addition, the relation between the EPR g-factors (g(II),g(perpendicular to),Delta g) and the orbit reduction factor k has been discussed for the two systems, suggesting that the orbit reduction factor k is very important to understand the EPR g-factors. (C) 2009 Elsevier B.V. All rights reserved.
部门归属	[tian, wen-yan; kuang, xiao-yu; duan, mei-ling; chai, rui-peng; zhang, cai-xia] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinica, int ctr mat phys, new delhi 110016, india.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kuang@163.com
关键词	Local Structure Epr And Optical Spectra Orbit Reduction Effect Magnesium-oxide Heterogeneous Photocatalysis Optical-spectra Centers Ions Cr3++ Mgo Crystals Field Degradation
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32330
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Y. Tian,X. Y. Kuang,M. L. Duan,et al. Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems[J]. Physica B-Condensed Matter,2009,404(21):4332-4336.
APA	W. Y. Tian,X. Y. Kuang,M. L. Duan,R. P. Chai,&C. X. Zhang.(2009).Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems.Physica B-Condensed Matter,404(21),4332-4336.
MLA	W. Y. Tian,et al."Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems".Physica B-Condensed Matter 404.21(2009):4332-4336.