Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal

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	Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal
	L. He; W. C. Zheng
	2009
发表期刊	Physica Status Solidi B-Basic Solid State Physics
ISSN	0370-1972
卷号	246 期号:1 页码:170-172
摘要	In this paper, we present two diagonalization of energy matrix methods (DEM-I and DEM-II) to calculate the spin-Hamiltonian (SH) parameters of the low-spin d(5) configuration (with the around state (2)T(2) and spin S = 1/2) in rhombic symmetry The x- and y-axes in which SH parameters are expressed are taken along the bisectors of the angles between metal-ligand bonds in crystals e.g., rutile-type crystals. In DEM-I, the Hamiltonian related to energy matrix with in the (2)T(2) term does not contain the Zeeman interaction and hyperfine interaction, whereas in DEM-II, it does. Based on the two methods, the SH parameters (g factors gi, hyperfine structure constants (99)A(i) and (101)A(i), where i = x, y, z) of Ru(3+) (4d(5)) ions in TiO(2) are calculated. The results from both methods coincide and are also in reasonable agreement with the experimental values. So, both methods are reliable for prediction of SH parameters for the low-spin d(5) ions in crystals. The signs of hyperfine structure constants A(i) are also suggested from the calculations. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
部门归属	[he, lv; zheng, wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [he, lv] zhejiang normal univ, dept phys, jinhua 321004, peoples r china. [zheng, wen-chen] 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	Electron-paramagnetic-res Local Structures Single-crystals Epr Resonance Distortions Centers Systems Field
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31957
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. He,W. C. Zheng. Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal[J]. Physica Status Solidi B-Basic Solid State Physics,2009,246(1):170-172.
APA	L. He,&W. C. Zheng.(2009).Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal.Physica Status Solidi B-Basic Solid State Physics,246(1),170-172.
MLA	L. He,et al."Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal".Physica Status Solidi B-Basic Solid State Physics 246.1(2009):170-172.