THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni(2+) CENTERS IN AgX (X = Cl, Br)
文献类型：期刊论文
| 作者 | Z. H. Zhang ; S. Y. Wu ; C. J. Fu ; L. H. Wei ; X. F. Wang |
| 刊名 | Modern Physics Letters B
 |
| 出版日期 | 2009 |
| 卷号 | 23期号:11页码:1415-1424 |
| 关键词 | Defect structures AgX (X = Cl electron paramagnetic resonance Ni(2+) Br) atomic screening constants laser-light generation ab-initio calculations color image-formation single-crystals superposition model silver-chloride scf functions agbr ions |
| ISSN号 | 0217-9849 |
| 中文摘要 | 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 Ni(2+) 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 Ni(2+) associated with one nearest-neighbor silver vacancy V(Ag) along the [110] direction as charge compensation. Based on the calculations, Ni(2+) 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/32594]  |
| 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 | Z. H. Zhang,S. Y. Wu,C. J. Fu,et al. THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni(2+) CENTERS IN AgX (X = Cl, Br)[J]. Modern Physics Letters B,2009,23(11):1415-1424. |
| APA | Z. H. Zhang,S. Y. Wu,C. J. Fu,L. H. Wei,&X. F. Wang.(2009).THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni(2+) CENTERS IN AgX (X = Cl, Br).Modern Physics Letters B,23(11),1415-1424. |
| MLA | Z. H. Zhang,et al."THEORETICAL STUDIES OF THE LOCAL STRUCTURES AND SPIN HAMILTONIAN PARAMETERS FOR THE RHOMBIC Ni(2+) 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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