The first-principle study on the electronic structure and magnetic properties of polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine}
文献类型：期刊论文
| 作者 | Z. L. Wang ; K. L. Yao ; Z. L. Liu ; L. Zhu |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2008 |
| 卷号 | 146期号:9-10页码:412-415 |
| 关键词 | magnetically ordered materials ferromagnetic properties first-principle method molecule-based magnets coordination polymer crystal-structure copper(ii) complexes dicyanamide chain dca |
| ISSN号 | 0038-1098 |
| 中文摘要 | The first principle method was applied to Study the electronic structure and magnetic properties of the compound of Cu(HCO2)(NO3)(pyz). The density of states, the electronic structure and the spin magnetic moments are calculated. The results reveal that the compound has a ferromagnetic interaction arising from the bridging mu-HCO2 and pyz ligands, and the ferromagnetic properties come from the spin delocalization effect. The spin magnetic moment 1.0 mu(B) per molecule mainly comes from the Cu ion, but has little contribution from O, N and C anion. (C) 2008 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33176]  |
| 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 | Z. L. Wang,K. L. Yao,Z. L. Liu,et al. The first-principle study on the electronic structure and magnetic properties of polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine}[J]. Solid State Communications,2008,146(9-10):412-415. |
| APA | Z. L. Wang,K. L. Yao,Z. L. Liu,&L. Zhu.(2008).The first-principle study on the electronic structure and magnetic properties of polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine}.Solid State Communications,146(9-10),412-415. |
| MLA | Z. L. Wang,et al."The first-principle study on the electronic structure and magnetic properties of polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine}".Solid State Communications 146.9-10(2008):412-415. |
入库方式： OAI收割
来源：金属研究所
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