| STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL | |
| Mei Yang1; Zheng Wen-Chen1,2; He Lv1,3 | |
| Corresponding Author | Zheng Wen-Chen(zhengwc1@163.com) |
| 2010-07-20 | |
| Source Publication | INTERNATIONAL JOURNAL OF MODERN PHYSICS B
 |
| ISSN | 0217-9792 |
| Volume | 24Issue:18Pages:3619-3625 |
| Abstract | 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 Cu2+ ions in AgCl and NaCl crystals are calculated. It is found that for the exact explanation of SH parameters of (CuCl6)(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 ( CuCl6)(4-) clusters. The causes are discussed. The signs of A(i) and the defect structures of Cu2+ centers in AgCl and NaCl crystals are suggested from the calculations. |
| Keyword | Spin-Hamiltonian parameters EPR spectra crystal and ligand-field theory charge-transfer mechanism Cu2+ MCl (M = Ag, Na) |
| DOI | 10.1142/S021797921005418X |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied ; Physics, Condensed Matter ; Physics, Mathematical |
| WOS ID | WOS:000281264700012 |
| Publisher | WORLD SCIENTIFIC PUBL CO PTE LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/100984 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Zheng Wen-Chen |
| Affiliation | 1.Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 3.Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China |
| Recommended Citation GB/T 7714 | Mei Yang,Zheng Wen-Chen,He Lv. STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B,2010,24(18):3619-3625. |
| APA | Mei Yang,Zheng Wen-Chen,&He Lv.(2010).STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL.INTERNATIONAL JOURNAL OF MODERN PHYSICS B,24(18),3619-3625. |
| MLA | Mei Yang,et al."STUDIES OF THE SPIN-HAMILTONIAN PARAMETERS AND DEFECT STRUCTURES FOR Cu2+ IONS IN AgCl and NaCl CRYSTALS FROM A TWO-MECHANISM MODEL".INTERNATIONAL JOURNAL OF MODERN PHYSICS B 24.18(2010):3619-3625. |
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