| The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation | |
| Y. S. Zhang; K. L. Yao; Z. L. Liu; L. H. Yu; X. L. Wang; Z. B. Li | |
| 2006 | |
| Source Publication | Physics Letters A
 |
| ISSN | 0375-9601 |
| Volume | 360Issue:2Pages:380-383 |
| Abstract | One-dimensional dihalide-bridged polymer Co(thiazole)(2)Cl-2 has been studied with the self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). Spin distributions in ferromagnetic and antiferromagnetic states of it have been obtained by the calculation. The electronic structure and magnetic coupling between tow cobalt (II) ions along chain are discussed. (c) 2006 Elsevier B.V. All rights reserved. |
| description.department | huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state ke lab laser technol, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zhang, ys (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;zhangysthinker@hotmail.com |
| Keyword | Co(Thiazole)(2)Cl-2 Fp_lapw Dihalide-bridged Polymers Crystal-structure Diffraction Thiazole |
| URL | 查看原文 |
| WOS ID | WOS:000243250700036 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/34728 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | Y. S. Zhang,K. L. Yao,Z. L. Liu,et al. The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation[J]. Physics Letters A,2006,360(2):380-383. |
| APA | Y. S. Zhang,K. L. Yao,Z. L. Liu,L. H. Yu,X. L. Wang,&Z. B. Li.(2006).The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation.Physics Letters A,360(2),380-383. |
| MLA | Y. S. Zhang,et al."The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation".Physics Letters A 360.2(2006):380-383. |
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