| Theoretical investigations of spin-Hamiltonian parameters for Ru(3+) ions in rutile (TiO(2)) crystal |
| L. He; W. C. Zheng
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| 2009
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| 发表期刊 | Physica Status Solidi B-Basic Solid State Physics
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| ISSN | 0370-1972
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| 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
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| 关键词 | Electron-paramagnetic-res
Local Structures
Single-crystals
Epr
Resonance
Distortions
Centers
Systems
Field
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| URL | 查看原文
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/31957
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| 专题 | 中国科学院金属研究所
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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.
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| 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.
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| 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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