First-principles study of the ferromagnetic and half-metallic properties of the fumarate-bridged polymer
文献类型：期刊论文
| 作者 | K. L. Yao ; L. Zhu ; Z. L. Liu |
| 刊名 | European Physical Journal B
 |
| 出版日期 | 2004 |
| 卷号 | 39期号:3页码:283-286 |
| 关键词 | coupled organic ferromagnets compound transition complexes systems crystal ligand model 1-d |
| ISSN号 | 1434-6028 |
| 中文摘要 | Density-functional theory (DFT) with generalized gradient approximation (GGA) is applied to study the electronic structure and the magnetic properties of ferromagnet [Cu(mu-C4H2O4)(NH3)(2)](n)(H2O)(m). The density of states, the electronic band structure and the spin magnetic moment are calculated. The calculations reveal that the compound has a stable half-metal-ferromagnetic ground state, and that there exists a dominant ferromagnetic interaction arising from the alkoxo-bridged dimeric part of the compound. The spin magnetic moment 1.0 mu(B) per molecule mainly comes from the Cu ion with little contribution from O, N, C anion. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35684]  |
| 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,L. Zhu,Z. L. Liu. First-principles study of the ferromagnetic and half-metallic properties of the fumarate-bridged polymer[J]. European Physical Journal B,2004,39(3):283-286. |
| APA | K. L. Yao,L. Zhu,&Z. L. Liu.(2004).First-principles study of the ferromagnetic and half-metallic properties of the fumarate-bridged polymer.European Physical Journal B,39(3),283-286. |
| MLA | K. L. Yao,et al."First-principles study of the ferromagnetic and half-metallic properties of the fumarate-bridged polymer".European Physical Journal B 39.3(2004):283-286. |
入库方式： OAI收割
来源：金属研究所
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