STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu(2+) IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL
文献类型：期刊论文
| 作者 | Y. Mei ; W. C. Zheng ; L. He |
| 刊名 | International Journal of Modern Physics B
 |
| 出版日期 | 2010 |
| 卷号 | 24期号:18页码:3619-3625 |
| 关键词 | Spin-Hamiltonian parameters MCl (M = Ag EPR spectra Na) crystal and ligand-field theory charge-transfer mechanism Cu(2+) atomic screening constants scf functions epr centers spectra field impurities transition systems sites |
| ISSN号 | 0217-9792 |
| 中文摘要 | In this paper, based on a two-mechanism model, we derive the complete high-order perturbation formulas of the spin-Hamiltonian (SH) parameters (g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) for 3d(9) ions in tetragonally elongated octahedral clusters. In the model, the contributions to SH parameters due to the crystal-field (CF) mechanism related to CF excited states and the charge-transfer (CT) mechanism related to CT exacted states (the CT mechanism is neglected in CF theory, which is widely used to study the SH parameters) are taken into account. From these formulas, the SH parameters of Cu(2+) ions in AgCl and NaCl crystals are calculated. It is found that for the exact explanation of SH parameters of (CuCl(6))(4-) clusters in crystals, the contribution due to CT mechanism should be considered. The relative importance of CT mechanism (characterized by Q(CT)/Q(CF), where Q = Q = Delta(gi) or Lambda((2))(i) , i = parallel to or perpendicular to) increases with the decreasing metal-ligand distance in ( CuCl(6))(4-) clusters. The causes are discussed. The signs of A(i) and the defect structures of Cu(2+) centers in AgCl and NaCl crystals are suggested from the calculations. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/31375]  |
| 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 | Y. Mei,W. C. Zheng,L. He. STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu(2+) IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL[J]. International Journal of Modern Physics B,2010,24(18):3619-3625. |
| APA | Y. Mei,W. C. Zheng,&L. He.(2010).STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu(2+) IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL.International Journal of Modern Physics B,24(18),3619-3625. |
| MLA | Y. Mei,et al."STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu(2+) IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL".International Journal of Modern Physics B 24.18(2010):3619-3625. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。