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 | Zhu, L.1; Yao, K. L.1,2; Liu, Z. L.1,3 |
| 刊名 | JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
 |
| 出版日期 | 2008-03-01 |
| 卷号 | 320期号:6页码:L50-L54 |
| 关键词 | ab initio FP-LAPW electronic structure ferromagnetic property |
| ISSN号 | 0304-8853 |
| DOI | 10.1016/j.jmmm.2007.10.034 |
| 通讯作者 | Zhu, L.(wl-zl41@163.com) |
| 英文摘要 | 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. |
| WOS研究方向 | Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000254416300002 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.imr.ac.cn/handle/321006/95550]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Zhu, L. |
| 作者单位 | 1.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China 3.Nanjing Univ, State Key Lab Coordinat Chem, Nanjing 210093, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu, L.,Yao, K. L.,Liu, Z. L.. 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 | Zhu, L.,Yao, K. L.,&Liu, Z. L..(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 | Zhu, L.,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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