Investigations of the EPR zero-field splitting and the defect structure for Mn2+ and Fe3+ ions in anatase crystals

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	Investigations of the EPR zero-field splitting and the defect structure for Mn2+ and Fe3+ ions in anatase crystals
	G. Q. Qu; X. X. Wu; W. C. Zheng
	2007
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	68 期号:3 页码:905-907
摘要	The EPR zero-field splittings D of Mn2+ and Fe3+ ions in anatase crystals at room and low temperatures are calculated from the high-order perturbation formula of zero-field splitting D for 3d(5) ions in tetragonal symmetry based on the dominant spin-orbit coupling mechanism. The calculated results are consistent with the observed values. From the calculations, Mn2+ and Fe3+ ions are suggested to substitute for T-i(4+) ions in anatase (in the previous paper, Mn2+ ion was Suggested at an interstitial site rather than substitutional site) and the defect structures (characterized mainly by the local oxygen parameter mu) for both tetragonal Mn2+ and Fe3+ impurity centers are estimated. The different zero-field splitting at room and low temperatures are due mainly to the change of local oxygen parameter mu with the temperature. These results are discussed. (C) 2007 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. civil aviat flying inst china, dept phys, guanghan 618307, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Electron Paramagnetic Resonance Crystal-field Theory Defect Structure Mn2++ Fe3++ Anatase (Tio2) Temperature-dependence Optical-absorption Parameters Cr3++ Spectra Tio2 Centers Rutile Ruby
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WOS记录号	WOS:000250607900076
引用统计	被引频次：8[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/321006/33794
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	G. Q. Qu,X. X. Wu,W. C. Zheng. Investigations of the EPR zero-field splitting and the defect structure for Mn2+ and Fe3+ ions in anatase crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2007,68(3):905-907.
APA	G. Q. Qu,X. X. Wu,&W. C. Zheng.(2007).Investigations of the EPR zero-field splitting and the defect structure for Mn2+ and Fe3+ ions in anatase crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,68(3),905-907.
MLA	G. Q. Qu,et al."Investigations of the EPR zero-field splitting and the defect structure for Mn2+ and Fe3+ ions in anatase crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 68.3(2007):905-907.