The magnetic behavior and electronic structure of manganese (II)-azido complex Mn(L)(2)(N3)(2) (n) studied by first-principle calculation
文献类型：期刊论文
| 作者 | K. L. Yao ; Y. S. Zhang ; Z. L. Liu ; L. H. Yu ; X. L. Wang |
| 刊名 | Physics Letters A
 |
| 出版日期 | 2006 |
| 卷号 | 359期号:3页码:227-233 |
| 关键词 | [Mn(L)(2)(N3)(n)] azido group end-on azido copper(ii) dinuclear complex crystal-structure antiferromagnetic interactions magnetostructural correlations ferromagnetic interaction nickel(ii) complexes compound ligand perchlorate |
| ISSN号 | 0375-9601 |
| 中文摘要 | Manganese (II)-azido complex [Mn(L)(2)(N3)(2)](n) (L=4-cyanopyridine) 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 result shows that magnetic coupling through azido groups should be attributed to the spin delocalization effect. (c) 2006 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/321006/34659]  |
| 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 | K. L. Yao,Y. S. Zhang,Z. L. Liu,et al. The magnetic behavior and electronic structure of manganese (II)-azido complex Mn(L)(2)(N3)(2) (n) studied by first-principle calculation[J]. Physics Letters A,2006,359(3):227-233. |
| APA | K. L. Yao,Y. S. Zhang,Z. L. Liu,L. H. Yu,&X. L. Wang.(2006).The magnetic behavior and electronic structure of manganese (II)-azido complex Mn(L)(2)(N3)(2) (n) studied by first-principle calculation.Physics Letters A,359(3),227-233. |
| MLA | K. L. Yao,et al."The magnetic behavior and electronic structure of manganese (II)-azido complex Mn(L)(2)(N3)(2) (n) studied by first-principle calculation".Physics Letters A 359.3(2006):227-233. |
入库方式： OAI收割
来源：金属研究所
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