Half-metallic ferromagnetism in wurtzite ScM (M=C, Si, Ge, and Sn): Ab initio calculations

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	Half-metallic ferromagnetism in wurtzite ScM (M=C, Si, Ge, and Sn): Ab initio calculations
	S. W. Fan; L. J. Ding; Z. L. Wang; K. L. Yao
	2013
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	102 期号:2
摘要	Using the full potential linearized augment plane wave method with the modified Becke and Johnson (mBJ) potential, the half-metallicity and electronic structure for the wurtzite ScM (M=C, Si, Ge, and Sn) compounds are investigated. The ScM series compounds are found to be excellent half-metallic ferromagnets (HMFs) with large half-metallic gaps (0.76-0.33 eV). The magnetic moments are 2.00 mu(B) per cell, and p-d hybridization mechanism plays crucial role in forming the half-metallic ferromagnetism. The ferromagnetic ground states, larger half metallic gaps, the robust half-metallicity with respect to the lattice compression, negative cohesive energy, and heat of formation indicate ScM compounds would be promising HMFs. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4775680]
部门归属	[fan, s. w. ; ding, l. j. ; wang, z. l.] china three gorges univ, dept phys, yichang 443002, peoples r china. [yao, k. l.] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. ; fan, sw (reprint author), china three gorges univ, dept phys, yichang 443002, peoples r china. ; fansw1129@126.com
关键词	Molecular-beam Epitaxy Zincblende Scandium Energy
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71201
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. W. Fan,L. J. Ding,Z. L. Wang,et al. Half-metallic ferromagnetism in wurtzite ScM (M=C, Si, Ge, and Sn): Ab initio calculations[J]. Applied Physics Letters,2013,102(2).
APA	S. W. Fan,L. J. Ding,Z. L. Wang,&K. L. Yao.(2013).Half-metallic ferromagnetism in wurtzite ScM (M=C, Si, Ge, and Sn): Ab initio calculations.Applied Physics Letters,102(2).
MLA	S. W. Fan,et al."Half-metallic ferromagnetism in wurtzite ScM (M=C, Si, Ge, and Sn): Ab initio calculations".Applied Physics Letters 102.2(2013).