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

doi:10.1016/j.jmmm.2007.10.034

IMR OpenIR

	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
	Zhu, L.1; Yao, K. L.1,2; Liu, Z. L.1,3
通讯作者	Zhu, L.(wl-zl41@163.com)
	2008-03-01
发表期刊	JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
ISSN	0304-8853
卷号	320 期号:6 页码:L50-L54
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.
关键词	ab initio FP-LAPW electronic structure ferromagnetic property
DOI	10.1016/j.jmmm.2007.10.034
收录类别	SCI
语种	英语
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Condensed Matter
WOS记录号	WOS:000254416300002
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：1[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/321006/95548
专题	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.