Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied

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	Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied
	H. F. Li; X. Y. Kuang; H. Q. Wang
	2008
发表期刊	Molecular Physics
ISSN	0026-8976
卷号	106 期号:15 页码:1879-1885
摘要	This paper reports on the application of conventional models (the displacement model and the elongation model) and the four-parameter model in detecting the local molecular structure of a coordination complex. By diagonalizing the complete energy matrices, the EPR parameters and optical spectra as well as the local distortion structure for V(3+) ion in the Al(2)O(3) : V(3+) system have been studied using the three models. The four-parameter model is shown to provide a significant improvement over the conventional models. Based on these calculations, it was found that when V(3+) is doped in Al(2)O(3), the distance between upper and lower ligand oxygen plane increases by 0.16097 angstrom and the shifts of O(2)-ions in the upper and lower ligand oxygen planes expand by 0.07076 angstrom and 0.004066 angstrom, respectively. To understand the detailed physical and chemical properties of the doped Al(2)O(3), the contributions of the spin-orbit coupling to the zero-field splitting for V(3+) ion are investigated.
部门归属	[li, hui-fang; kuang, xiao-yu; wang, huai-qian] 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_lhf@163.com
关键词	Three Models Epr And Optical Spectra Local Lattice Structure Distortion Al(2)o(3):v(3+) System Vanadium Corundum Optical Spectra Energy-levels Fe3++ Ions Field Al2o3 Fe-3++ Cr3++ Spin
URL	查看原文
WOS记录号	WOS:000260831600005
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/321006/32864
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. F. Li,X. Y. Kuang,H. Q. Wang. Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied[J]. Molecular Physics,2008,106(15):1879-1885.
APA	H. F. Li,X. Y. Kuang,&H. Q. Wang.(2008).Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied.Molecular Physics,106(15),1879-1885.
MLA	H. F. Li,et al."Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied".Molecular Physics 106.15(2008):1879-1885.