Theoretical studies of EPR spectra and defect structure for three Er3+ centers in thorium dioxide

doi:10.1016/j.cplett.2011.02.013

IMR OpenIR

	Theoretical studies of EPR spectra and defect structure for three Er3+ centers in thorium dioxide
	Chai, Rui-Peng 1; Kuang, Xiao-Yu 1,2; Li, Cheng-Gang 1; Zhao, Ya-Ru 1
通讯作者	Kuang, Xiao-Yu(scu_kuang@163.com)
	2011-03-21
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 Er3+ centers in ThO2 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.
资助者	National Natural Science Foundations of China
DOI	10.1016/j.cplett.2011.02.013
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundations of China[10974138] ; National Natural Science Foundations of China[10774103]
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000288197300013
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：11[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/321006/107218
专题	中国科学院金属研究所
通讯作者	Kuang, Xiao-Yu
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Chai, Rui-Peng,Kuang, Xiao-Yu,Li, Cheng-Gang,et al. Theoretical studies of EPR spectra and defect structure for three Er3+ centers in thorium dioxide[J]. CHEMICAL PHYSICS LETTERS,2011,505(1-3):65-70.
APA	Chai, Rui-Peng,Kuang, Xiao-Yu,Li, Cheng-Gang,&Zhao, Ya-Ru.(2011).Theoretical studies of EPR spectra and defect structure for three Er3+ centers in thorium dioxide.CHEMICAL PHYSICS LETTERS,505(1-3),65-70.
MLA	Chai, Rui-Peng,et al."Theoretical studies of EPR spectra and defect structure for three Er3+ centers in thorium dioxide".CHEMICAL PHYSICS LETTERS 505.1-3(2011):65-70.