The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]
文献类型：期刊论文
| 作者 | Yao, K. L.1,2; Wang, Z. W.1; Liu, Z. L.1; Fan, S. W.1 |
| 刊名 | JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
 |
| 出版日期 | 2008-08-01 |
| 卷号 | 320期号:15页码:2074-2077 |
| 关键词 | DFT ferromagnet electronic structure half-metallic property |
| ISSN号 | 0304-8853 |
| DOI | 10.1016/j.jmmm.2008.03.027 |
| 通讯作者 | Wang, Z. W.(wzwst1@tom.com) |
| 英文摘要 | The density-functional theory (DFT) within the full potential linearized augmented plane wave (FPLAPW) method was applied to study the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]. The relative stability of the ground state, the electronic band structure, the magnetic and the conducting properties were investigated. The calculations reveal that the compound has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 4.0 mu(B), which is mainly from Fe(II) ion. By analysis of the band structure, we find that the compound has half-metallic properties. (c) 2008 Elsevier B.V. All rights reserved. |
| WOS研究方向 | Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000255898200011 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.imr.ac.cn/handle/321006/95716]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wang, Z. W. |
| 作者单位 | 1.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yao, K. L.,Wang, Z. W.,Liu, Z. L.,et al. The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)][J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2008,320(15):2074-2077. |
| APA | Yao, K. L.,Wang, Z. W.,Liu, Z. L.,&Fan, S. W..(2008).The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)].JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,320(15),2074-2077. |
| MLA | Yao, K. L.,et al."The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 320.15(2008):2074-2077. |
入库方式： OAI收割
来源：金属研究所
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