Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO

doi:10.1088/0031-8949/79/06/065702

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	Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+ centers in MgO and CaO
	Wu, Shao-Yi 1,2; Zhang, Hua-Ming 1; Hu, Yue-Xia 1; Wang, Xue-Feng 1
通讯作者	Wu, Shao-Yi(shaoyi_wu@163.com)
	2009-06-01
发表期刊	PHYSICA SCRIPTA
ISSN	0031-8949
卷号	79 期号:6 页码:7
摘要	The 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.
DOI	10.1088/0031-8949/79/06/065702
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000266639500029
出版者	IOP PUBLISHING LTD
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/96388
专题	中国科学院金属研究所
通讯作者	Wu, Shao-Yi
作者单位	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
推荐引用方式 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.