Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix

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	Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix
	S. Y. Wu; L. H. Wei; H. N. Dong; Y. X. Hu; X. F. Wang
	2009
发表期刊	Journal of Alloys and Compounds
ISSN	0925-8388
卷号	477 期号:1-2 页码:40-44
摘要	The g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in the silica glass matrix are theoretically studied from the perturbation formulas of the g factors for a 3d(1) ion in orthorhombically distorted tetrahedra. From the calculations, the impurity-ligand bond angle (polar angle) related to [0 0 1] axis in the impurity center is about 0.25 degrees smaller than that (approximate to 54.74 degrees) of regular tetrahedra, and the Azimuthal angle related to [1 0 0] axis shows a slight deviation by about 0.28 degrees. The local structure of this center can be described as an elongated oxygen tetrahedron associated with tiny orthorhombic distortion due to the Jahn-Teller effect. The theoretical g factors and the optical transitions based on the above local structure are in good agreement with the experimental data. Moreover, the previous assignments of the electron paramagnetic resonance (EPR) spectra and the optical transitions based on tetragonal (D(2d)) approximation are also improved by considering the slight orthorhombic distortion. (C) 2008 Elsevier B.V. All rights reserved.
部门归属	[wu, shao-yi; wei, li-hua; hu, yue-xia; wang, xue-feng] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi; dong, hui-ning] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [dong, hui-ning] chongqing univ posts & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Inorganic Materials Crystal And ligAnd Fields Point Defects Electron Paramagnetic Resonance Electron-paramagnetic-resonance Atomic Screening Constants Photoinduced Ti3++ Center Chromium Oxides 3d Impurities Scf Functions Sio2 Glass Ions Semiconductors Luminescence
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WOS记录号	WOS:000266386400021
引用统计	被引频次：7[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/321006/32430
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Y. Wu,L. H. Wei,H. N. Dong,et al. Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix[J]. Journal of Alloys and Compounds,2009,477(1-2):40-44.
APA	S. Y. Wu,L. H. Wei,H. N. Dong,Y. X. Hu,&X. F. Wang.(2009).Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix.Journal of Alloys and Compounds,477(1-2),40-44.
MLA	S. Y. Wu,et al."Theoretical studies of the g factors and local structure for Cr(5+) within Cr(2)O(3) nanocrystals embedded in silica glass matrix".Journal of Alloys and Compounds 477.1-2(2009):40-44.