First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co)
文献类型：期刊论文
| 作者 | J. Zhang ; K. L. Yao ; Z. L. Liu ; G. Y. Gao ; X. C. Wang ; Y. L. Li |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2008 |
| 卷号 | 145期号:1-2页码:43-47 |
| 关键词 | organic magnet magnetic semiconductors first principles electronic structure coupled organic ferromagnets crystal-structure magnetic-properties complexes azido model |
| ISSN号 | 0038-1098 |
| 中文摘要 | First principles calculations have been performed to study the electronic structure and the ferromagnetic properties on the two chain compounds of [M(N-3)(2) (HCOO)] [(CH3)(2)NH2] (M = Fe and Co). The relative stability of the ground state, the density of states and the electronic band structure are examined. The results reveal that antiferromagnetism (AFM) state is the ground state and ferromagnetism (FM) state is the metastable one for both of them. The two compounds exhibit semiconductor character with small gap in the FM state, while metallic in the AFM state. In the FM state, the magnetic moments mainly arise from the Fe and Co ions with little contribution from the nearest-neighboring N and O atoms due to the hybridization between the Fe or Co 3d states and the nearest-neighboring N and O 2p states. (C) 2007 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33320]  |
| 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 | J. Zhang,K. L. Yao,Z. L. Liu,et al. First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co)[J]. Solid State Communications,2008,145(1-2):43-47. |
| APA | J. Zhang,K. L. Yao,Z. L. Liu,G. Y. Gao,X. C. Wang,&Y. L. Li.(2008).First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co).Solid State Communications,145(1-2),43-47. |
| MLA | J. Zhang,et al."First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co)".Solid State Communications 145.1-2(2008):43-47. |
入库方式： OAI收割
来源：金属研究所
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