Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr
文献类型：期刊论文
| 作者 | H. M. Zhang ; S. Y. Wu ; P. Xu |
| 刊名 | Canadian Journal of Physics
 |
| 出版日期 | 2011 |
| 卷号 | 89期号:2页码:177-183 |
| 关键词 | transition-metal ions epr spectroscopic investigations electron-paramagnetic resonance atomic screening constants superposition model scf functions symmetry spectra field agcl |
| ISSN号 | 0008-4204 |
| 中文摘要 | The local structures and the spin Hamiltonian parameters (the g-factors g(parallel to) and g(perpendicular to) and the superhyperfine parameters A(parallel to)' and A(perpendicular to)') are quantitatively studied for the two Rh(2+) L and H centers (denoting the tetragonally elongated and compressed [RhBr(6)](4-) clusters at low and high temperatures, respectively) in AgBr using the perturbation formulas of these parameters for a 4d(7) ion in tetragonally elongated and compressed octahedra. From the studies, the elongated L center originates from the relative elongation of the parallel Rh(2+)-Br(-) bonds by about 0.081 angstrom along the C(4) axis because of the Jahn-Teller effect. Nevertheless, the compressed center H is attributed to one next nearest neighbouring Ag(+) vacancy V(Ag) along the C(4) axis as the charge compensator, which compels the intervening ligand Br(-) in the Rh(2+) and the V(Ag) to shift away from the latter by about 0.148 angstrom because of the electrostatic repulsion. All the calculated spin Hamiltonian parameters based on the above local structures are in good agreement with the experimental data for both centers. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30880]  |
| 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,P. Xu. Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr[J]. Canadian Journal of Physics,2011,89(2):177-183. |
| APA | H. M. Zhang,S. Y. Wu,&P. Xu.(2011).Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr.Canadian Journal of Physics,89(2),177-183. |
| MLA | H. M. Zhang,et al."Studies of the local structures and spin Hamiltonian parameters for the two Rh(2+) centers in AgBr".Canadian Journal of Physics 89.2(2011):177-183. |
入库方式： OAI收割
来源：金属研究所
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