Theoretical studies of the EPR parameters for Ni(2+) and Co(+) in MgO

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	Theoretical studies of the EPR parameters for Ni(2+) and Co(+) in MgO
	Z. H. Zhang; S. Y. Wu; P. Xu; L. L. Li
	2010
发表期刊	Brazilian Journal of Physics
ISSN	0103-9733
卷号	40 期号:3 页码:361-364
摘要	The electron paramagnetic resonance (EPR) parameters (g factors and the hyperfine structure constants) for Ni(2+) and Co(+) in MgO are theoretically studied from the perturbation formulas of these parameters for a 3d(8) ion in octahedral crystal-fields. In the computations, the ligand orbital and spin-orbit coupling contributions are taken into account using the Cluster approach. The calculated EPR parameters are in good agreement with the experimental data. The larger g factor and the smaller magnitude of the hyperfine structure constant for Ni(2+) as compared with those for Co(+) can be attributed to the higher spin-orbit coupling coefficient and the lower dipolar hyperfine structure parameter of the former, respectively.
部门归属	[zhang, zhi-hong; wu, shao-yi; xu, pei; li, li-li] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, shao-yi] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zhang, zh (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyiwu@163.com
关键词	Impurity And Defects Electron Paramagnetic Resonance Ni(2+) Co(+) Mgo Spin-hamiltonian Parameters Atomic Screening Constants Local Structures Crystal Fields Scf Functions Resonance Pressure Ions Adsorption Catalysts
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31737
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. H. Zhang,S. Y. Wu,P. Xu,et al. Theoretical studies of the EPR parameters for Ni(2+) and Co(+) in MgO[J]. Brazilian Journal of Physics,2010,40(3):361-364.
APA	Z. H. Zhang,S. Y. Wu,P. Xu,&L. L. Li.(2010).Theoretical studies of the EPR parameters for Ni(2+) and Co(+) in MgO.Brazilian Journal of Physics,40(3),361-364.
MLA	Z. H. Zhang,et al."Theoretical studies of the EPR parameters for Ni(2+) and Co(+) in MgO".Brazilian Journal of Physics 40.3(2010):361-364.