Investigations of the g factors for the trigonal Ti(H2O)(6) (3+) clusters in frozen solution from two microscopic spin Hamiltonian methods
文献类型：期刊论文
| 作者 | W. Fang ; X. X. Wu ; W. C. Zheng |
| 刊名 | Journal of Physics and Chemistry of Solids
 |
| 出版日期 | 2007 |
| 卷号 | 68期号:2页码:131-134 |
| 关键词 | inorganic compounds crystal fields electron paramagnetic resonance (EPR) electronic structure atomic screening constants superposition model scf functions crystal parameters ions epr titanium |
| ISSN号 | 0022-3697 |
| 中文摘要 | The spin Hamiltonian parameters (SH) (g factors g(vertical bar vertical bar) and g(perpendicular to)) for the trigonal [Ti(H2O)(6)](3+) clusters in the rapidly frozen solutions of Ti3+ are calculated from the complete diagonalization (of energy matrix) method (CDM, which is established in this paper) and the perturbation theory method (PTM). The two methods are based on the two-spin-orbit-parameter model (where both the contribution due to the spin-orbit (SO) coupling parameter of central 3d(n) ion and that of ligand are included) rather than the one-SO-parameter model in the conventional crystal-field theory (where only the contribution due to the SO coupling parameter of 3d(n) ion is considered). The calculated results from both methods are not only consistent with the observed values, but also close to each other. This suggests that both methods can be effective in the studies of SH parameters. (c) 2006 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33524]  |
| 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. Fang,X. X. Wu,W. C. Zheng. Investigations of the g factors for the trigonal Ti(H2O)(6) (3+) clusters in frozen solution from two microscopic spin Hamiltonian methods[J]. Journal of Physics and Chemistry of Solids,2007,68(2):131-134. |
| APA | W. Fang,X. X. Wu,&W. C. Zheng.(2007).Investigations of the g factors for the trigonal Ti(H2O)(6) (3+) clusters in frozen solution from two microscopic spin Hamiltonian methods.Journal of Physics and Chemistry of Solids,68(2),131-134. |
| MLA | W. Fang,et al."Investigations of the g factors for the trigonal Ti(H2O)(6) (3+) clusters in frozen solution from two microscopic spin Hamiltonian methods".Journal of Physics and Chemistry of Solids 68.2(2007):131-134. |
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来源：金属研究所
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