Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr(2+) in CdGa(2)S(4)
文献类型：期刊论文
| 作者 | Y. Li ; X. Y. Kuang ; Z. Li ; M. L. Gao |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2009 |
| 卷号 | 484期号:1-2页码:472-476 |
| 关键词 | Crystal structure and symmetry Crystal and ligand fields EPR luminescence quantum efficiency nanocrystalline znsmn2+ triplet contribution tetragonal sites zns ions epr nanoparticles absorption spectra |
| ISSN号 | 0925-8388 |
| 中文摘要 | A theoretical method for investigating the inter-relation between electronic and the molecular structures of a d(4) ion in a tetragonal ligand-field has been established on the basis of 210 x 210 complete energy matrix within a weak-field-representation. Using the method, the local structure parameters of CdGa(2)S(4):Cr(2+) system are determined by the experimental EPR zero-field splitting (ZFS) spectra. Our results show that the local structure around Cr(2+) is a compression distortion and the local lattice structure parameters R = 2.46 angstrom and theta = 57.63 degrees are determined. Moreover, the contributions of the spin singlets to ZFS parameters of Cr(2+) ions in CdGa(2)S(4) crystals are investigated for the first time. The results indicate that the spin singlets contributions to ZFS parameter D are negligible, but the contributions to ZFS parameters a and F cannot be neglected. (C) 2009 Published by Elsevier B.V. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32045]  |
| 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. Li,X. Y. Kuang,Z. Li,et al. Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr(2+) in CdGa(2)S(4)[J]. Journal of Alloys and Compounds,2009,484(1-2):472-476. |
| APA | Y. Li,X. Y. Kuang,Z. Li,&M. L. Gao.(2009).Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr(2+) in CdGa(2)S(4).Journal of Alloys and Compounds,484(1-2),472-476. |
| MLA | Y. Li,et al."Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr(2+) in CdGa(2)S(4)".Journal of Alloys and Compounds 484.1-2(2009):472-476. |
入库方式： OAI收割
来源：金属研究所
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