THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni2+ CENTERS IN AgX (X = Cl, Br)
文献类型：期刊论文
| 作者 | Zhang, Zhi-Hong1; Wu, Shao-Yi1,2; Fu, Chuan-Ji1; Wei, Li-Hua1; Wang, Xue-Feng1 |
| 刊名 | MODERN PHYSICS LETTERS B
 |
| 出版日期 | 2009-05-10 |
| 卷号 | 23期号:11页码:1415-1424 |
| 关键词 | Defect structures electron paramagnetic resonance Ni2+ AgX (X = Cl, Br) |
| ISSN号 | 0217-9849 |
| 通讯作者 | Wu, Shao-Yi(shaoyi_wu@163.com) |
| 英文摘要 | The local structures and the spin Hamiltonian parameters (zero-field splittings D and E and the anisotropic g factors g(x), g(y) and g(z)) for the rhombic Ni2+ centers in AgX (X = Cl, Br) are theoretically studied from the perturbation formulas of these parameters for a 3d(8) ion under rhombically distorted octahedra. In these formulas, the ligand p- and s-orbital and spin-orbit coupling contributions are included on the basis of the cluster approach. The rhombic centers are attributed to the impurity Ni2+ associated with one nearest-neighbor silver vacancy V-Ag along the [110] direction as charge compensation. Based on the calculations, Ni2+ is found to suffer an off-center displacement 0.092 angstrom (or 0.335 angstrom) for AgCl (or AgBr) towards the V-Ag along the [110] axis, while the ligands closest to the V-Ag undergo a small shift 0.065 angstrom (or 0.006 angstrom) away from (or towards) the V-Ag. The theoretical spin Hamiltonian parameters based on the above defect structures show good agreement with the experimental data. |
| 资助项目 | UESTC |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000266353500005 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 资助机构 | UESTC |
| 源URL | [http://ir.imr.ac.cn/handle/321006/97079]  |
| 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, Zhi-Hong,Wu, Shao-Yi,Fu, Chuan-Ji,et al. THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni2+ CENTERS IN AgX (X = Cl, Br)[J]. MODERN PHYSICS LETTERS B,2009,23(11):1415-1424. |
| APA | Zhang, Zhi-Hong,Wu, Shao-Yi,Fu, Chuan-Ji,Wei, Li-Hua,&Wang, Xue-Feng.(2009).THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni2+ CENTERS IN AgX (X = Cl, Br).MODERN PHYSICS LETTERS B,23(11),1415-1424. |
| MLA | Zhang, Zhi-Hong,et al."THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni2+ CENTERS IN AgX (X = Cl, Br)".MODERN PHYSICS LETTERS B 23.11(2009):1415-1424. |
入库方式： OAI收割
来源：金属研究所
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