Investigations on the local angular distortions and the spin-Hamiltonian parameters for Ni+ in sulfides
文献类型：期刊论文
| 作者 | Zhang, Hua-Ming1; Wu, Shao-Yi1,2; Hu, Yue-Xia1; Wang, Xue-Feng1; Xu, Pei1 |
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2009-09-01 |
| 卷号 | 73期号:5页码:879-883 |
| 关键词 | Electron paramagnetic resonance Defect structures Crystal-fields and spin-Hamiltonians Ni+ CuAlS2 CuGaS2 AgGaS2 |
| ISSN号 | 1386-1425 |
| DOI | 10.1016/j.saa.2009.04.010 |
| 通讯作者 | Wu, Shao-Yi(wushaoyi@netease.com) |
| 英文摘要 | The local angular distortions and the spin-Hamiltonian parameters (the g factors and the hyperfine parameters) for Ni+ in ABS(2) (A=Cu, Ag; B=Al, Ga) ternary sulfides are theoretically investigated from the perturbation formulas of these parameters for 3d(9) ions in a tetragonally distorted tetrahedron. In view of the strong covalency of such systems, the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. The local impurity-ligand bond angles in the Ni+ centers are found to be about 1.4-4.5 degrees smaller than those of the host monovalent A sites in the pure crystals, due to size mismatching substitution. As a result, the ligand tetrahedra exhibit slight elongation in CuBS2:Ni+ and slight compression in AgGaS2:Ni+. The calculated spin-Hamiltonian parameters, optical transitions and the relative intensity ratios show reasonable agreement with the experimental data. (C) 2009 Elsevier B.V. All rights reserved. |
| 资助项目 | Academic Excellence of UESTC |
| WOS研究方向 | Spectroscopy |
| 语种 | 英语 |
| WOS记录号 | WOS:000268009400016 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 资助机构 | Academic Excellence of UESTC |
| 源URL | [http://ir.imr.ac.cn/handle/321006/96871]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wu, Shao-Yi |
| 作者单位 | 1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Hua-Ming,Wu, Shao-Yi,Hu, Yue-Xia,et al. Investigations on the local angular distortions and the spin-Hamiltonian parameters for Ni+ in sulfides[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2009,73(5):879-883. |
| APA | Zhang, Hua-Ming,Wu, Shao-Yi,Hu, Yue-Xia,Wang, Xue-Feng,&Xu, Pei.(2009).Investigations on the local angular distortions and the spin-Hamiltonian parameters for Ni+ in sulfides.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,73(5),879-883. |
| MLA | Zhang, Hua-Ming,et al."Investigations on the local angular distortions and the spin-Hamiltonian parameters for Ni+ in sulfides".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 73.5(2009):879-883. |
入库方式： OAI收割
来源：金属研究所
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