Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3
文献类型：期刊论文
| 作者 | S. Y. Wu ; W. Z. Yan ; X. Y. Gao |
| 刊名 | Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
 |
| 出版日期 | 2004 |
| 卷号 | 60期号:3页码:701-707 |
| 关键词 | electron paramagnetic resonance m2+(M = Co crystal-field theory and spin Mn Hamiltonians V and Ni) local structure CSMgCl3 acoustic paramagnetic resonance atomic screening constants superposition model tetragonal symmetry crystal-structure epr parameters scf functions sites absorption fluoride |
| ISSN号 | 1386-1425 |
| 中文摘要 | The spin Hamiltonian parameters (zero-field splitting D, g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3 are studied by using the perturbation formulas of the spin Hamiltonian parameters for 3d(n) (n = 7, 5, 3, 8) ions in trigonal symmetry based on the cluster approach. In these formulas, the contributions to the spin Hamiltonian parameters from the admixture of d orbitals of the central ions with the p orbitals of the ligands and from the trigonal distortion are included and the parameters related to these effects can be obtained from the optical spectra and the local structures of the studied systems. Based on the studies, it is found that the local trigonal distortion angle beta in the M2+ impurity center is unlike that beta(H) (approximate to51.71degrees) in the host CsMgCl3. The spin Hamiltonian parameters for these divalent ions in CsMgCl3 are also satisfactorily explained by using the local angle beta. The validity of the results is discussed. (C) 2003 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35636]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | S. Y. Wu,W. Z. Yan,X. Y. Gao. Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2004,60(3):701-707. |
| APA | S. Y. Wu,W. Z. Yan,&X. Y. Gao.(2004).Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,60(3),701-707. |
| MLA | S. Y. Wu,et al."Theoretical studies of the spin Hamiltonian parameters and the local structures for M2+ (M = Co, Mn, V and Ni) ions in CsMgCl3".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 60.3(2004):701-707. |
入库方式： OAI收割
来源：金属研究所
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