Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems
文献类型：期刊论文
| 作者 | W. Y. Tian ; X. Y. Kuang ; M. L. Duan ; R. P. Chai ; C. X. Zhang |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2009 |
| 卷号 | 404期号:21页码:4332-4336 |
| 关键词 | Local structure EPR and optical spectra Orbit reduction effect magnesium-oxide heterogeneous photocatalysis optical-spectra centers ions cr3+ mgo crystals field degradation |
| ISSN号 | 0921-4526 |
| 中文摘要 | A theoretical method for studying the inter-relation between electronic and molecular structure has been proposed based on the complete energy matrices for a d(3) configuration ion in a tetragonal ligand-field. By means of this method, the local structure for Cr(3+) ion doped in oxides TiO(2) (anatase) and MgO has been determined. The calculated results indicate that the local structure of the (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems exists as a compressed distortion relative to the regular octahedron. Meanwhile, the dependence of the EPR zero-field splitting parameter D on the local structure parameter Delta R (Delta R = R(1)-R(2)) has been revealed. In addition, the relation between the EPR g-factors (g(II),g(perpendicular to),Delta g) and the orbit reduction factor k has been discussed for the two systems, suggesting that the orbit reduction factor k is very important to understand the EPR g-factors. (C) 2009 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32330]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | W. Y. Tian,X. Y. Kuang,M. L. Duan,et al. Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems[J]. Physica B-Condensed Matter,2009,404(21):4332-4336. |
| APA | W. Y. Tian,X. Y. Kuang,M. L. Duan,R. P. Chai,&C. X. Zhang.(2009).Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems.Physica B-Condensed Matter,404(21),4332-4336. |
| MLA | W. Y. Tian,et al."Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-factors for octahedral (CrO(6))(9-) cluster in TiO(2):Cr(3+) and MgO:Cr(3+) systems".Physica B-Condensed Matter 404.21(2009):4332-4336. |
入库方式： OAI收割
来源：金属研究所
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