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Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO
Wu, Shao-Yi1,2; Zhang, Hua-Ming1; Hu, Yue-Xia1; Wang, Xue-Feng1
Corresponding AuthorWu, Shao-Yi(shaoyi_wu@163.com)
2009-06-01
Source PublicationPHYSICA SCRIPTA
ISSN0031-8949
Volume79Issue:6Pages:7
AbstractThe spin Hamiltonian parameters (the anisotropic g factors, the hyperfine structure constants and the ligand superhyperfine parameters) for the tetragonal Rh2+ centers in MgO and CaO are theoretically studied from the perturbation formulae of these parameters for a 4d(7) ion in tetragonally elongated octahedra. In these formulae, the related molecular orbital coefficients as well as the ligand unpaired spin densities are determined quantitatively from the cluster approach in a uniform way. The above centers are attributed to Rh2+ occupying divalent cation sites in MgO (and CaO), associated with a relative elongation of 0.5% ( and 1.4%) along the [001] (or C-4) axis due to the Jahn-Teller effect. The calculated spin Hamiltonian parameters based on the Jahn-Teller elongations are in good agreement with the observed values. The local structures of the impurity centers are discussed.
DOI10.1088/0031-8949/79/06/065702
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000266639500029
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/96388
Collection中国科学院金属研究所
Corresponding AuthorWu, Shao-Yi
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
Wu, Shao-Yi,Zhang, Hua-Ming,Hu, Yue-Xia,et al. Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO[J]. PHYSICA SCRIPTA,2009,79(6):7.
APA Wu, Shao-Yi,Zhang, Hua-Ming,Hu, Yue-Xia,&Wang, Xue-Feng.(2009).Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO.PHYSICA SCRIPTA,79(6),7.
MLA Wu, Shao-Yi,et al."Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO".PHYSICA SCRIPTA 79.6(2009):7.
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