A ULFC method for d(4)(D(2d)) ions and a study of the spin singlets contributions to zero-field splitting of Cr(2+) ions in zinc sulfide crystals
文献类型：期刊论文
| 作者 | L. Cheng ; K. Xiao-Yu ; Z. Kang-Wei |
| 刊名 | Journal of Physical Chemistry A
 |
| 出版日期 | 2007 |
| 卷号 | 111期号:43页码:11110-11115 |
| 关键词 | luminescence quantum efficiency hyperfine coupling-constants mixed system rb2mnxcr1-xcl4 nanocrystalline znsmn2+ triplet contribution electronic-structure ligand-field epr zns nanoparticles |
| ISSN号 | 1089-5639 |
| 中文摘要 | A simple theoretical method is shown to yield a detailed explanation of numerous EPR parameters for a d(4) configuration ion in tetragonal ligand field. Using the unified ligand-field-coupling (ULFC) scheme, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. On the basis of the theoretical formulas, the 2 10 x 210 complete energy matrices including all the spin states are constructed within a strong field representation. By diagonalizing the complete energy matrices, the local lattice structure and Jahn-Teller energy of Cr(2+) ionsin ZnS : Cr(2+) system have been investigated. It is found that the theoretical results are in good agreement with the experimental values. Moreover, the contributions of the spin singlets to the zero-field splitting (ZFS) parameters of Cr(2+) ions in ZnS crystals are investigated for the first time. The results indicate that the spin singlets contributions to ZFS parameter b(2)(0) is negligible, but the contributions to ZFS parameters b(4)(0) and b(4)(4) cannot be neglected. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33478]  |
| 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 | L. Cheng,K. Xiao-Yu,Z. Kang-Wei. A ULFC method for d(4)(D(2d)) ions and a study of the spin singlets contributions to zero-field splitting of Cr(2+) ions in zinc sulfide crystals[J]. Journal of Physical Chemistry A,2007,111(43):11110-11115. |
| APA | L. Cheng,K. Xiao-Yu,&Z. Kang-Wei.(2007).A ULFC method for d(4)(D(2d)) ions and a study of the spin singlets contributions to zero-field splitting of Cr(2+) ions in zinc sulfide crystals.Journal of Physical Chemistry A,111(43),11110-11115. |
| MLA | L. Cheng,et al."A ULFC method for d(4)(D(2d)) ions and a study of the spin singlets contributions to zero-field splitting of Cr(2+) ions in zinc sulfide crystals".Journal of Physical Chemistry A 111.43(2007):11110-11115. |
入库方式： OAI收割
来源：金属研究所
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