First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)(2)L (L=4,4 '-bipyridine)
文献类型：期刊论文
| 作者 | K. L. Yao ; S. W. Fan ; Z. L. Liu ; Y. L. Li |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2007 |
| 卷号 | 395期号:1-2页码:84-87 |
| 关键词 | density-function theory electronic structure ferromagnetic properties organic ferromagnets magnetic-properties molecular magnets temperature surfaces chains model |
| ISSN号 | 0921-4526 |
| 中文摘要 | We have employed the full-potential linearized augmented plane-wave method with generalized gradient approximation to study the electronic structure and the magnetic properties of the three-dimensional coordination polymer Cu(HCO2)(2)L (L = 4,4'-bipyridine). The atomic magnetic moments, and the total and partial density of states indicate that the magnetic moments mainly come from the Cu atom, and there exists a ferromagnetic interaction between the Cu2+ ions. The total density of states also shows that the compound is an insulator. The total energies of three possible magnetic phases reveal that this compound has the ferromagnetic ground state, which is in agreement with the experiment. (C) 2007 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33983]  |
| 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,S. W. Fan,Z. L. Liu,et al. First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)(2)L (L=4,4 '-bipyridine)[J]. Physica B-Condensed Matter,2007,395(1-2):84-87. |
| APA | K. L. Yao,S. W. Fan,Z. L. Liu,&Y. L. Li.(2007).First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)(2)L (L=4,4 '-bipyridine).Physica B-Condensed Matter,395(1-2),84-87. |
| MLA | K. L. Yao,et al."First-principle study on the electronic structure and ferromagnetic properties of a three-dimensional coordination polymer: Cu(HCO2)(2)L (L=4,4 '-bipyridine)".Physica B-Condensed Matter 395.1-2(2007):84-87. |
入库方式： OAI收割
来源：金属研究所
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