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Chinese Academy of Sciences Institutional Repositories Grid
Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal

文献类型:期刊论文

作者L. He ; W. C. Zheng
刊名Physica Status Solidi B-Basic Solid State Physics
出版日期2009
卷号246期号:1页码:170-172
关键词electron-paramagnetic-res local structures single-crystals epr resonance distortions centers systems field
ISSN号0370-1972
中文摘要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
原文出处://WOS:000262992700026
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/31957]  
专题金属研究所_中国科学院金属研究所
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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.

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来源:金属研究所

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