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

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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)
	K. L. Yao; Z. W. Wang; Z. L. Liu; S. W. Fan
	2008
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.
部门归属	[yao, k. l.; wang, z. w.; liu, z. l.; fan, s. w.] huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;wang, zw (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;klyao@hust.edu.cn wzwst1@tom.com
关键词	Dft Ferromagnet Electronic Structure Half-metallic Property Temperature
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33288
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	K. L. Yao,Z. W. Wang,Z. L. Liu,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	K. L. Yao,Z. W. Wang,Z. L. Liu,&S. W. Fan.(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	K. L. Yao,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.