Spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu2+centres in trigonal Zn(BrO3)center dot 6H2O crystal
文献类型：期刊论文
| 作者 | W. L. Feng ; L. He ; W. Q. Yang ; W. C. Zheng |
| 刊名 | Molecular Physics
 |
| 出版日期 | 2009 |
| 卷号 | 107期号:21页码:2293-2297 |
| 关键词 | electron paramagnetic resonance crystal- and ligand-field theory Jahn-Teller effect defect structure Cu2+ Zn(BrO3)center dot 6H2O atomic screening constants zinc bromate hexahydrate scf functions epr field ions spectrum systems cu2+ |
| ISSN号 | 0026-8976 |
| 中文摘要 | The spin-Hamiltonian parameters (g factors g//, g perpendicular to and hyperfine structure constants 65A// and 65A perpendicular to) for the tetragonal Cu2+ centres in trigonal Zn(BrO3)center dot 6H2O crystal are calculated from the complete diagonalization (of energy matrix) method (CDM) based on the cluster approach. In the CDM, the Zeeman and hyperfine interaction terms are added to the Hamiltonian in the conventional CDM and the contributions to the spin-Hamiltonian parameters from both the spin-orbit coupling parameter of central d9 ion and that of ligand ion are included. The calculated spin-Hamiltonian parameters of Zn(BrO3)center dot 6H2O: Cu2+ show good agreement with the experimental values and the tetragonal elongation (characterized by R=R// - R perpendicular to, where R// and R perpendicular to represent the metal-ligand distances parallel with and perpendicular to the C4 axis) due to the static Jahn-Teller effect is obtained from the calculations. The results are discussed. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31901]  |
| 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 | W. L. Feng,L. He,W. Q. Yang,et al. Spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu2+centres in trigonal Zn(BrO3)center dot 6H2O crystal[J]. Molecular Physics,2009,107(21):2293-2297. |
| APA | W. L. Feng,L. He,W. Q. Yang,&W. C. Zheng.(2009).Spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu2+centres in trigonal Zn(BrO3)center dot 6H2O crystal.Molecular Physics,107(21),2293-2297. |
| MLA | W. L. Feng,et al."Spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu2+centres in trigonal Zn(BrO3)center dot 6H2O crystal".Molecular Physics 107.21(2009):2293-2297. |
入库方式： OAI收割
来源：金属研究所
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