Ab initio study of the electronic structure and the magnetic properties of polymers Co N(CN)(2) (2)(L) L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo) with dual mu- and mu 3- N(CN)(2) (-) bridges
文献类型：期刊论文
| 作者 | L. Zhu ; K. L. Yao ; Z. L. Liu |
| 刊名 | Journal of Magnetism and Magnetic Materials
 |
| 出版日期 | 2008 |
| 卷号 | 320期号:6页码:L50-L54 |
| 关键词 | ab initio FP-LAPW electronic structure ferromagnetic property networks molecule ni co |
| ISSN号 | 0304-8853 |
| 中文摘要 | The first principle within the full potential linearized augmented-plane-wave (FP-LAPW) method was applied to study the compound of Co[N(CN)(2)](2)(L) [L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo)] with dual mu- and mu 3-[N(CN)(2)](-) bridges. The density of states, the electronic band structure and the spin magnetic moment are calculated. The calculations reveal that these two compounds have a ferromagnetic (FM) interaction arising from the 1,5-mu- and mu 3-[N(CN)(2)](-) bridges. The spin magnetic moment mainly comes from the Co ion with little contribution from N, O and C anions. (C) 2007 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33406]  |
| 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 the electronic structure and the magnetic properties of polymers Co N(CN)(2) (2)(L) L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo) with dual mu- and mu 3- N(CN)(2) (-) bridges[J]. Journal of Magnetism and Magnetic Materials,2008,320(6):L50-L54. |
| APA | L. Zhu,K. L. Yao,&Z. L. Liu.(2008).Ab initio study of the electronic structure and the magnetic properties of polymers Co N(CN)(2) (2)(L) L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo) with dual mu- and mu 3- N(CN)(2) (-) bridges.Journal of Magnetism and Magnetic Materials,320(6),L50-L54. |
| MLA | L. Zhu,et al."Ab initio study of the electronic structure and the magnetic properties of polymers Co N(CN)(2) (2)(L) L = pyrazine dioxide (pzdo) and 2-methyl pyrazine dioxide (mpdo) with dual mu- and mu 3- N(CN)(2) (-) bridges".Journal of Magnetism and Magnetic Materials 320.6(2008):L50-L54. |
入库方式： OAI收割
来源：金属研究所
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