Theoretical study of EPR spectra and local structure for (NiO6)(10-) cluster in LiNbO3 : Ni2+ and Al2O3 : Ni2+ systems

IMR OpenIR

	Theoretical study of EPR spectra and local structure for (NiO6)(10-) cluster in LiNbO3 : Ni2+ and Al2O3 : Ni2+ systems
	R. P. Chai; X. Y. Kuang; C. X. Zhang; M. L. Duan; H. Wang
	2008
发表期刊	Journal of Physics and Chemistry of Solids
ISSN	0022-3697
卷号	69 期号:7 页码:1848-1854
摘要	For a d(8) configuration ion, the 45 x 45 complete energy matrix, which contains the electron-electron repulsion interaction, the ligand-field interaction, the spin-orbit coupling interaction as well as the Zeeman interaction, has been established. By diagonalizing the complete energy matrix, the local lattice structure, EPR parameters (D, g(parallel to), g(perpendicular to)) and optical absorption spectra for Ni2+ ions doped in LiNbO3 and Al2O3 have been investigated. The local structure distortion parameters Delta R, Delta theta(1) and Delta theta(2) are determined for LiNbO3:Ni2+ and Al2O3:Ni2+ systems, simultaneously. These results show that local structure of (NiO6)(10-) cluster exhibits an elongation distortion in both LiNbO3:Ni2+ and Al2O3:Ni2+ systems, in spite of the different reasons of the elongation in both systems. In addition, we have found that the orbit reduction effect is very important to understand the anisotropic g-factors for Ni2+ ions doped in LiNbO3 and Al2O3 crystals. Published by Elsevier Ltd.
部门归属	[chai, rui-peng; kuang, xiao-yu; zhang, cai-xia; duan, mei-ling; wang, hui] 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_kxy@163.com
关键词	Optical-absorption Spectrum Crystal-field Superposition Model Lithium-niobate Ions Mn2++ Parameters Ruby Alpha-al2o3 Resonance
URL	查看原文
WOS记录号	WOS:000257599400036
引用统计	被引频次：6[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/321006/32656
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. X. Zhang,et al. Theoretical study of EPR spectra and local structure for (NiO6)(10-) cluster in LiNbO3 : Ni2+ and Al2O3 : Ni2+ systems[J]. Journal of Physics and Chemistry of Solids,2008,69(7):1848-1854.
APA	R. P. Chai,X. Y. Kuang,C. X. Zhang,M. L. Duan,&H. Wang.(2008).Theoretical study of EPR spectra and local structure for (NiO6)(10-) cluster in LiNbO3 : Ni2+ and Al2O3 : Ni2+ systems.Journal of Physics and Chemistry of Solids,69(7),1848-1854.
MLA	R. P. Chai,et al."Theoretical study of EPR spectra and local structure for (NiO6)(10-) cluster in LiNbO3 : Ni2+ and Al2O3 : Ni2+ systems".Journal of Physics and Chemistry of Solids 69.7(2008):1848-1854.