The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]

doi:10.1016/j.jmmm.2008.03.027

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	The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]
	Yao, K. L.1,2; Wang, Z. W.1; Liu, Z. L.1; Fan, S. W.1
通讯作者	Wang, Z. W.(wzwst1@tom.com)
	2008-08-01
发表期刊	JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
ISSN	0304-8853
卷号	320 期号:15 页码:2074-2077
摘要	The density-functional theory (DFT) within the full potential linearized augmented plane wave (FPLAPW) method was applied to study the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]. The relative stability of the ground state, the electronic band structure, the magnetic and the conducting properties were investigated. The calculations reveal that the compound has a stable ferromagnetic ground state and the spin magnetic moment per molecule is about 4.0 mu(B), which is mainly from Fe(II) ion. By analysis of the band structure, we find that the compound has half-metallic properties. (c) 2008 Elsevier B.V. All rights reserved.
关键词	DFT ferromagnet electronic structure half-metallic property
DOI	10.1016/j.jmmm.2008.03.027
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:000255898200011
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/321006/95717
专题	中国科学院金属研究所
通讯作者	Wang, Z. W.
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
推荐引用方式 GB/T 7714	Yao, K. L.,Wang, Z. W.,Liu, Z. L.,et al. The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)][J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2008,320(15):2074-2077.
APA	Yao, K. L.,Wang, Z. W.,Liu, Z. L.,&Fan, S. W..(2008).The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)].JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,320(15),2074-2077.
MLA	Yao, K. L.,et al."The ferromagnetic and half-metallic properties of the layered organic-inorganic hybrid Fe[CH(3)(CH(2))(2)PO(3)(H(2)O)]".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 320.15(2008):2074-2077.