Theoretical studies of EPR spectra and defect structure for three Er(3+) centers in thorium dioxide

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	Theoretical studies of EPR spectra and defect structure for three Er(3+) centers in thorium dioxide
	R. P. Chai; X. Y. Kuang; C. G. Li; Y. R. Zhao
	2011
发表期刊	Chemical Physics Letters
ISSN	0009-2614
卷号	505 期号:1-3 页码:65-70
摘要	The EPR parameters of three nonequivalent Er(3+) centers in ThO(2) have been reasonably explained by diagonalizing complete energy matrices. The results indicate that the center III may be attributed to a positive charge compensator located at the [111] axis of cube, and the nearest ligand close to the compensator has a displacement away from central ion by about 0.19 angstrom. As for the center II, it is expected that the four ligand ions close to the compensator have a displacement by about 0.046 angstrom along the [100] direction. Moreover, the dependence of EPR g-factors on shift parameter Delta Z is discussed. (C) 2011 Elsevier B.V. All rights reserved.
部门归属	[chai, rui-peng; kuang, xiao-yu; li, cheng-gang; zhao, ya-ru] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kuang@163.com
关键词	Electron Spin Resonance Rare-earth Ions Crystal Fields Tho2 Oxide Site Yb3
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30246
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	R. P. Chai,X. Y. Kuang,C. G. Li,et al. Theoretical studies of EPR spectra and defect structure for three Er(3+) centers in thorium dioxide[J]. Chemical Physics Letters,2011,505(1-3):65-70.
APA	R. P. Chai,X. Y. Kuang,C. G. Li,&Y. R. Zhao.(2011).Theoretical studies of EPR spectra and defect structure for three Er(3+) centers in thorium dioxide.Chemical Physics Letters,505(1-3),65-70.
MLA	R. P. Chai,et al."Theoretical studies of EPR spectra and defect structure for three Er(3+) centers in thorium dioxide".Chemical Physics Letters 505.1-3(2011):65-70.

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