中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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://WOS:000244406600003
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
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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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