Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate
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 | 2005 |
| 卷号 | 370期号:1-4页码:104-109 |
| 关键词 | ab initio FP-LAPW electronic structure ferromagnetic properties organic ferromagnets polymer |
| ISSN号 | 0921-4526 |
| 中文摘要 | The first principles within the full potential linearized augmented plane wave (FP-LAPW) method was applied to study the compound of Cutp(OH2)(2). The density of states, the electronic band structure and the spin magnetic moment are calculated. The calculations reveal that the compound has a ferromagnetic interaction arising from the bridging water molecule. The spin magnetic moment 1.0 mu(B) per molecule mainly comes from the Cu ion with little contribution from O, C anion. (c) 2005 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35299]  |
| 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. Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate[J]. Physica B-Condensed Matter,2005,370(1-4):104-109. |
| APA | L. Zhu,K. L. Yao,&Z. L. Liu.(2005).Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate.Physica B-Condensed Matter,370(1-4),104-109. |
| MLA | L. Zhu,et al."Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate".Physica B-Condensed Matter 370.1-4(2005):104-109. |
入库方式： OAI收割
来源：金属研究所
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