The ferromagnetic copper (II)-azido compound Cu(L)(2)(N-3)(2) (n) L=4-(dimethylamino)pyridine studied by first-principle calculation
文献类型：期刊论文
| 作者 | Y. S. Zhang ; K. L. Yao ; Z. L. Liu |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2005 |
| 卷号 | 358期号:1-4页码:216-223 |
| 关键词 | [Cu(L)(2)(N-3)(2)](n) azido group spin delocalization end-to-end magnetostructural correlations magnetic-properties molecular magnets crystal-structure on azido antiferromagnetic interactions nickel(ii) complexes dinuclear complex bridges |
| ISSN号 | 0921-4526 |
| 中文摘要 | Cu2+ ions are doubly bridged by asymmetrical end-to-end (EE) azido groups in copper (II)-azido compound [Cu(L)(2)(N-3)(2)](n) [L = 4-(dimethylamino)pyridine]. The electronic structure of its ferromagnetic ground state has been calculated using the self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). The result shows that spin distribution and ferromagnetic coupling in the title compound are dominated by the spin delocalization effect from Cu2+ ions toward the azido groups, but weak spin polarization effects also contribute to the magnetic coupling through the asymmetrical EE azido groups. (c) 2005 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35244]  |
| 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. S. Zhang,K. L. Yao,Z. L. Liu. The ferromagnetic copper (II)-azido compound Cu(L)(2)(N-3)(2) (n) L=4-(dimethylamino)pyridine studied by first-principle calculation[J]. Physica B-Condensed Matter,2005,358(1-4):216-223. |
| APA | Y. S. Zhang,K. L. Yao,&Z. L. Liu.(2005).The ferromagnetic copper (II)-azido compound Cu(L)(2)(N-3)(2) (n) L=4-(dimethylamino)pyridine studied by first-principle calculation.Physica B-Condensed Matter,358(1-4),216-223. |
| MLA | Y. S. Zhang,et al."The ferromagnetic copper (II)-azido compound Cu(L)(2)(N-3)(2) (n) L=4-(dimethylamino)pyridine studied by first-principle calculation".Physica B-Condensed Matter 358.1-4(2005):216-223. |
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来源：金属研究所
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