| Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr(2+) in CdGa(2)S(4) | |
| Y. Li; X. Y. Kuang; Z. Li; M. L. Gao | |
| 2009 | |
| Source Publication | Journal of Alloys and Compounds
 |
| ISSN | 0925-8388 |
| Volume | 484Issue:1-2Pages:472-476 |
| Abstract | 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. |
| description.department | [li, yang; kuang, xiao-yu; li, zhe; li, ying; gao, ming-liang] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [kuang, xiao-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;kuang, xy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;scu_kuang@163.com |
| Keyword | Crystal Structure And Symmetry Crystal And ligAnd Fields Epr Luminescence Quantum Efficiency Nanocrystalline Znsmn2++ Triplet Contribution Tetragonal Sites Zns Ions Epr Nanoparticles Absorption Spectra |
| URL | 查看原文 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/32045 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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. |
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