Theoretical studies on the off-center displacement of Ni3+ in SrO by analyzing its anisotropic g factors
文献类型：期刊论文
| 作者 | S. Y. Wu ; H. N. Dong |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2004 |
| 卷号 | 366期号:1-2页码:49-53 |
| 关键词 | defect structure electron paramagnetic resonance crystal- and ligand-field theory Ni3+ SrO atomic screening constants transition metal ions paramagnetic-resonance spin resonance superposition model scf functions crystals oxide co2+ epr |
| ISSN号 | 0925-8388 |
| 中文摘要 | The off-center displacement of Ni3+ ion in SrO crystal is investigated by analyzing its anisotropic g factors g(//) and g(perpendicular to) by using the perturbation formulas of the g factors for a 3d(7) ion in axial (tetragonal or trigonal) symmetry. In these formulas, the contributions to the g factors from the mixture of different energy states, low symmetry distortion and covalency effect are included and the parameters related to these effects can be obtained from the optical spectral and local structural parameters of the studied system. Based on the studies, it is found that the Ni3+ impurity may take an off-center displacement by about 0.23 Angstrom along the [1 1 1] direction and result in a trigonally distorted [NiO6](9-) cluster. Interestingly, the observed Ni3+ center has the unusual T-4(1) ground orbital triplet due to the weak crystal field of the host SrO, which is different from the usual E-2 ground orbital doublet for Ni3+ under strong octahedral fields. The reasonableness of the results is discussed. (C) 2003 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35625]  |
| 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 | S. Y. Wu,H. N. Dong. Theoretical studies on the off-center displacement of Ni3+ in SrO by analyzing its anisotropic g factors[J]. Journal of Alloys and Compounds,2004,366(1-2):49-53. |
| APA | S. Y. Wu,&H. N. Dong.(2004).Theoretical studies on the off-center displacement of Ni3+ in SrO by analyzing its anisotropic g factors.Journal of Alloys and Compounds,366(1-2),49-53. |
| MLA | S. Y. Wu,et al."Theoretical studies on the off-center displacement of Ni3+ in SrO by analyzing its anisotropic g factors".Journal of Alloys and Compounds 366.1-2(2004):49-53. |
入库方式： OAI收割
来源：金属研究所
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