Studies on the defect structures for two Rh2+ centers in LiD
文献类型：期刊论文
| 作者 | H. M. Zhang ; S. Y. Wu ; G. D. Lu ; L. H. Wei ; Z. H. Zhang |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2008 |
| 卷号 | 464期号:1-2页码:18-22 |
| 关键词 | inorganic materials crystal and ligand field point defects electron paramagnetic resonance nuclear double-resonance transition metal ions solution-grown nacl hyperfine interaction superposition model spectra crystals lithium hydrides equation |
| ISSN号 | 0925-8388 |
| 中文摘要 | The defect structures for two Rh2+ centers {A} and {O} in LiD are theoretically studied by analyzing their experimental EPR parameters, based on the perturbation formulas of these parameters for a 4d(7) ion with low spin (S = 1/2) in tetragonally compressed octahedra and orthorhombically elongated octahedra. Center {A} call be attributed to the substitutional Rh2+ at the Li+ site, associated with the next nearest neighbouring (nnn) Li+ vacancy V-Li along [0 0 1] (or C-4) axis as the compensator. In this center, the intervening ligand D- in Rh2+ and the V-Li is found to shift towards Rh2+ by an amount Delta Z(A) approximate to 0.01 angstrom due to the electrostatic repulsion of the V-Li. Center {O} is assigned to the elongation delta approximate to 0.072 angstrom of the ligand octahedron along [0 0 1] axis due to the Jahn-Teller effect, associated with one nnn V-Li along [1 0 0] (or X) axis. The intervening ligand may also suffer a displacement Delta X-o approximate to 0. 11 angstrom towards Rh2+. In the calculations of the hyperfine structure constants, the reduction factors H (approximate to 0.49 and 0.93) due to the Rh2+ 4d-5s orbital admixture are obtained for centers {A} and {0}. (C) 2007 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/321006/33318]  |
| 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 | H. M. Zhang,S. Y. Wu,G. D. Lu,et al. Studies on the defect structures for two Rh2+ centers in LiD[J]. Journal of Alloys and Compounds,2008,464(1-2):18-22. |
| APA | H. M. Zhang,S. Y. Wu,G. D. Lu,L. H. Wei,&Z. H. Zhang.(2008).Studies on the defect structures for two Rh2+ centers in LiD.Journal of Alloys and Compounds,464(1-2),18-22. |
| MLA | H. M. Zhang,et al."Studies on the defect structures for two Rh2+ centers in LiD".Journal of Alloys and Compounds 464.1-2(2008):18-22. |
入库方式： OAI收割
来源：金属研究所
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