Defect models of the three trigonal Ti3+ centers in LiF : Ti3+ and LiF : Ti3+: Mg2+ crystals

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	Defect models of the three trigonal Ti3+ centers in LiF : Ti3+ and LiF : Ti3+: Mg2+ crystals
	W. C. Zheng; Z. Qing; W. L. Feng; M. Yang
	2007
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	66 期号:4-5 页码:1312-1316
摘要	The EPR g factors of the trigonal Ti3+ center A in LiF:Ti3+ and two additional trigonal Ti3+ centers B and C in LiF:Ti3+:Mg2+ crystals are calculated from the third-order perturbation formulas based on the cluster approach. From the calculations and by considering the Ti3+ displacement along (1 1 1) axis obtained by ENDOR experiment, the defect models for the three Ti3+ centers are suggested. For center A, there are two possible models: (i) [Ti3+F3-O32-] cluster and (ii) [Ti3+F6-] Cluster with the Ti3+ off-center caused by a neighboring Li+ vacancy (VLi+) at (1 1 1) axis. The latter seems the more likely. The defect models of centers B and C are the [Ti3+F3-O32-] clusters associated with a neighboring: Mg2+ ion at the Li+ site along (1 1 1) axis in the vicinity of three F-ions and three O2- ions, respectively. The reasonableness of these models is discussed. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. chongqing inst technol, dept appl phys, chongqing 400050, 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	Defect Model Electron Paramagnetic Resonance (Epr) Crystal- And Ligand-field Theory Ti3++ Mg2++ Lif Electron-spin-resonance Thermoluminescent Lithium-fluoride Atomic Screening Constants Scf Functions Titanium Lif Epr Spectra Kznf3
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WOS记录号	WOS:000245480400082
引用统计	被引频次：1[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/321006/34091
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,Z. Qing,W. L. Feng,et al. Defect models of the three trigonal Ti3+ centers in LiF : Ti3+ and LiF : Ti3+: Mg2+ crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2007,66(4-5):1312-1316.
APA	W. C. Zheng,Z. Qing,W. L. Feng,&M. Yang.(2007).Defect models of the three trigonal Ti3+ centers in LiF : Ti3+ and LiF : Ti3+: Mg2+ crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,66(4-5),1312-1316.
MLA	W. C. Zheng,et al."Defect models of the three trigonal Ti3+ centers in LiF : Ti3+ and LiF : Ti3+: Mg2+ crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 66.4-5(2007):1312-1316.