IMR OpenIR
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 AuthorWu, S. Y.(shaoyi_wu@163.com)
2010
Source PublicationCANADIAN JOURNAL OF PHYSICS
ISSN0008-4204
Volume88Issue:1Pages:49-53
AbstractThe 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 OrganizationSupport Program for Academic Excellence of University of Electronic Science and Technology of China
DOI10.1139/P09-110
Indexed BySCI
Language英语
Funding ProjectSupport Program for Academic Excellence of University of Electronic Science and Technology of China
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000276484200007
PublisherCANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/100659
Collection中国科学院金属研究所
Corresponding AuthorWu, S. Y.
Affiliation1.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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, S. X.]'s Articles
[Wu, S. Y.]'s Articles
[Xu, P.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, S. X.]'s Articles
[Wu, S. Y.]'s Articles
[Xu, P.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, S. X.]'s Articles
[Wu, S. Y.]'s Articles
[Xu, P.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.