Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate

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	Ab initio study of electronic structure and magnetic properties of copper (II) terephthalate
	L. Zhu; K. L. Yao; Z. L. Liu
	2005
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	370 期号:1-4 页码:104-109
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.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state key lab laser technol, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zhu, l (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;wl-zl41@163.com klyao@hust.edu.cn
关键词	Ab Initio Fp-lapw Electronic Structure Ferromagnetic Properties Organic Ferromagnets Polymer
URL	查看原文
WOS记录号	WOS:000234057800015
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/321006/35299
专题	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.