First-principles studies on the spin distribution and conductive properties of two (MnCuII)-Cu-II bimetallic chains
文献类型：期刊论文
| 作者 | L. Zhu ; K. L. Yao ; Z. L. Liu |
| 刊名 | Physica B-Condensed Matter
 |
| 出版日期 | 2007 |
| 卷号 | 395期号:1-2页码:111-115 |
| 关键词 | DFT FP-LAPW electronic structure ferrimagnetic molecular-based magnet crystal-structure chemistry mniicuii oxamato physics |
| ISSN号 | 0921-4526 |
| 中文摘要 | The electronic structures of two (MnCuII)-Cu-II bimetallic chains have been studied using the full-potential linearized augmented plane wave method based on the density-functional theory. They are MnCu(pha)(H2O3)(3)center dot 2H(2)O (C) and MnCu(phaOH)(H2O(3))(3)center dot 2H(2)O (A). It is found that the antiferromagnetic interaction between the Mn ions and the Cu ions passes through the antiferromagnetic interaction between the adjacent atoms along the path linking the Mn ions and the Cu ions. Because the Mn ions and the Cu ions have different local spins, the antiferromagnetic interactions between the Mn ions and the Cu ions result in the (MnCuII)-Cu-II, bimetallic chains having ferrimagnetic behavior. By analysis of the band structure, we find that the compound A has metallically magnetic properties. (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/321006/34105]  |
| 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 | L. Zhu,K. L. Yao,Z. L. Liu. First-principles studies on the spin distribution and conductive properties of two (MnCuII)-Cu-II bimetallic chains[J]. Physica B-Condensed Matter,2007,395(1-2):111-115. |
| APA | L. Zhu,K. L. Yao,&Z. L. Liu.(2007).First-principles studies on the spin distribution and conductive properties of two (MnCuII)-Cu-II bimetallic chains.Physica B-Condensed Matter,395(1-2),111-115. |
| MLA | L. Zhu,et al."First-principles studies on the spin distribution and conductive properties of two (MnCuII)-Cu-II bimetallic chains".Physica B-Condensed Matter 395.1-2(2007):111-115. |
入库方式： OAI收割
来源：金属研究所
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