中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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://WOS:000251976300010
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
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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.

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来源:金属研究所

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