The first-principle study on the electronic structure and magnetic properties of polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine}

IMR OpenIR

	The first-principle study on the electronic structure and magnetic properties of polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine}
	Z. L. Wang; K. L. Yao; Z. L. Liu; L. Zhu
	2008
发表期刊	Solid State Communications
ISSN	0038-1098
卷号	146 期号:9-10 页码:412-415
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.
部门归属	[wang, z. l.; yao, k. l.; liu, z. l.; zhu, l.] huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. [wang, z. l.] china three gorges univ, coll sci, yichang 443002, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. [liu, z. l.] nanjing univ, state key lab coordinat chem, nanjing 210093, peoples r china.;wang, zl (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;wzlsanxia@yahoo.cn
关键词	Magnetically Ordered Materials Ferromagnetic Properties First-principle Method Molecule-based Magnets Coordination Polymer Crystal-structure Copper(Ii) Complexes Dicyanamide Chain Dca
URL	查看原文
WOS记录号	WOS:000256641500017
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33176
专题	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.