Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)
文献类型：期刊论文
| 作者 | H. M. Zhang ; S. Y. Wu ; Z. H. Zhang ; P. Xu |
| 刊名 | Journal of Structural Chemistry
 |
| 出版日期 | 2012 |
| 卷号 | 53期号:2页码:260-265 |
| 关键词 | electron paramagnetic resonance crystal- and ligand-field theory Cu2+ Ca(OD)(2) superposition model ca(oh)2 epr hyperfine crystal spectra amorphization phase ions so2 |
| ISSN号 | 0022-4766 |
| 中文摘要 | The local structure and the spin Hamiltonian parameters (the g factors g (i) (i = x, y, z) and the hyperfine structure constants A (i) ) for Cu2+-doped Ca(OD)(2) are theoretically investigated from the perturbation formulas of these parameters for a 3d (9) ion in an orthorhombically elongated octahedron. From the studies, the planar Cu2+-OD- bonds are found to experience the relative variation Delta R (a parts per thousand 0.014 ) along the X and Y axes, while those parallel to the Z axis may undergo the relative elongation Delta Z (a parts per thousand 0.25 ) due to the Jahn-Teller effect. The theoretical spin Hamiltonian parameters based on the above local lattice distortions agree well with the experimental data. As compared with the previous treatments, the improvements of the theoretical spin Hamiltonian parameters are achieved in this work by adopting the uniform calculation formulas and the tetragonal field parameters based on the superposition model. |
| 原文出处 | |
| 公开日期 | 2013-02-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/60439]  |
| 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 | H. M. Zhang,S. Y. Wu,Z. H. Zhang,et al. Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)[J]. Journal of Structural Chemistry,2012,53(2):260-265. |
| APA | H. M. Zhang,S. Y. Wu,Z. H. Zhang,&P. Xu.(2012).Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2).Journal of Structural Chemistry,53(2),260-265. |
| MLA | H. M. Zhang,et al."Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)".Journal of Structural Chemistry 53.2(2012):260-265. |
入库方式： OAI收割
来源：金属研究所
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