| Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh2+ in rutile | |
| Zhang, S. X.1; Wu, S. Y.1,2; Xu, P.1; Li, L. L.1 | |
| Corresponding Author | Wu, S. Y.(shaoyi_wu@163.com) |
| 2010 | |
| Source Publication | CANADIAN JOURNAL OF PHYSICS
 |
| ISSN | 0008-4204 |
| Volume | 88Issue:1Pages:49-53 |
| Abstract | The spin Hamiltonian parameters, the g factors g(i) (i = x, y, z) and the hyperfine structure constants A(i), and the local structure for Rh2+ in rutile (TiO2) are theoretically investigated from the perturbation formulas of these parameters for a 4d(7) ion under rhombically elongated octahedra. In view of the covalency, the ligand orbital and spin-orbit coupling contributions are taken into account from the cluster approach. The planar bond angle in the impurity center is found to be 7.5 degrees larger than that of the host Ti4+ site because of the Jahn-Teller effect via bending of the planar Rh2+-O2- bonds, leading to much smaller rhombic distortion. The theoretical spin Hamiltonian parameters based on the above Jahn-Teller angular distortion show reasonable agreement with the experimental data. |
| Funding Organization | Support Program for Academic Excellence of University of Electronic Science and Technology of China |
| DOI | 10.1139/P09-110 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Support Program for Academic Excellence of University of Electronic Science and Technology of China |
| WOS Research Area | Physics |
| WOS Subject | Physics, Multidisciplinary |
| WOS ID | WOS:000276484200007 |
| Publisher | CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/100657 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wu, S. Y. |
| Affiliation | 1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Zhang, S. X.,Wu, S. Y.,Xu, P.,et al. Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh2+ in rutile[J]. CANADIAN JOURNAL OF PHYSICS,2010,88(1):49-53. |
| APA | Zhang, S. X.,Wu, S. Y.,Xu, P.,&Li, L. L..(2010).Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh2+ in rutile.CANADIAN JOURNAL OF PHYSICS,88(1),49-53. |
| MLA | Zhang, S. X.,et al."Theoretical investigations on the spin Hamiltonian parameters and the local structure for Rh2+ in rutile".CANADIAN JOURNAL OF PHYSICS 88.1(2010):49-53. |
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