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

doi:10.1016/j.jpcs.2006.09.019

IMR OpenIR

	Investigations of the g factors for the trigonal [Ti(H2O)(6)](3+) clusters in frozen solution from two microscopic spin Hamiltonian methods
	Fang Wang ; Wu Xiao-Xuan ; Zheng Wen-Chen
通讯作者	Zheng Wen-Chen(zhengwc1@163.com)
	2007-02-01
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.
关键词	inorganic compounds crystal fields electron paramagnetic resonance (EPR) electronic structure
DOI	10.1016/j.jpcs.2006.09.019
收录类别	SCI
语种	英语
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Multidisciplinary ; Physics, Condensed Matter
WOS记录号	WOS:000244406600003
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/89207
专题	中国科学院金属研究所
通讯作者	Zheng Wen-Chen
作者单位	1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Civil Aviat Flying Inst China, Dept Phys, Guanghan 618307, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Fang Wang,Wu Xiao-Xuan,Zheng Wen-Chen. 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	Fang Wang,Wu Xiao-Xuan,&Zheng Wen-Chen.(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	Fang Wang,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.