Investigations of the g factors for the trigonal Ti(H2O)(6) (3+) clusters in frozen solution from two microscopic spin Hamiltonian methods

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	Investigations of the g factors for the trigonal Ti(H2O)(6) (3+) clusters in frozen solution from two microscopic spin Hamiltonian methods
	W. Fang; X. X. Wu; W. C. Zheng
	2007
发表期刊	Journal of Physics and Chemistry of Solids
ISSN	0022-3697
卷号	68 期号:2 页码:131-134
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.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. civil aviat flying inst china, dept phys, guanghan 618307, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
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
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33524
专题	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.