中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh(2+) centers in MgO and CaO

文献类型:期刊论文

作者S. Y. Wu ; H. M. Zhang ; Y. X. Hu ; X. F. Wang
刊名Physica Scripta
出版日期2009
卷号79期号:6
关键词atomic screening constants electron-paramagnetic-res jahn-teller ions hydrogen-production magnetic-properties rh/mgo(001) interface superposition model scf functions complexes crystals
ISSN号0031-8949
中文摘要The spin Hamiltonian parameters (the anisotropic g factors, the hyperfine structure constants and the ligand superhyperfine parameters) for the tetragonal Rh(2+) 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 Rh(2+) 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.
原文出处://WOS:000266639500029
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/32433]  
专题金属研究所_中国科学院金属研究所
推荐引用方式
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S. Y. Wu,H. M. Zhang,Y. X. Hu,et al. Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh(2+) centers in MgO and CaO[J]. Physica Scripta,2009,79(6).
APA S. Y. Wu,H. M. Zhang,Y. X. Hu,&X. F. Wang.(2009).Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh(2+) centers in MgO and CaO.Physica Scripta,79(6).
MLA S. Y. Wu,et al."Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh(2+) centers in MgO and CaO".Physica Scripta 79.6(2009).

入库方式: OAI收割

来源:金属研究所

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