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 | |
| 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 |
| 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. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。