Bulk and surface half-metallicity: Metastable zinc-blende TiSb

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	Bulk and surface half-metallicity: Metastable zinc-blende TiSb
	G. Y. Gao; K. L. Yao
	2012
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	112 期号:2
摘要	Motivated by the recent experimental fabrication of half-metallic MnSb and CrSb thin films with metastable zinc-blende structure [Aldous et al. Phys. Rev. B 85, 060403(R) (2012); Deng et al. J. Appl. Phys. 99, 093902 (2006)], we investigate the structural, electronic, and magnetic properties of TiSb in both ground-state NiAs and metastable zinc-blende phases by using the first-principles calculations. It is shown that the ground-state NiAs phase is metallic and nonmagnetic, but the metastable zinc-blende phase exhibits half-metallic ferromagnetism with a magnetic moment of 1.00 mu(B) per formula unit. We also reveal that the half-metallicity in bulk ZB TiSb is lost at the Sb-terminated (001) surface due to the appearance of surface states within the gap of the minority-spin channel, but the Ti-terminated (001) surface retains the bulk half-metallicity, which makes ZB TiSb a promising candidate for the possible epitaxial growth of half-metallic thin films or multilayers on semiconductor substrates for spintronic applications. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739744]
部门归属	[gao, g. y.; yao, k. l.] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [gao, g. y.; yao, k. l.] huazhong univ sci & technol, wuhan natl high magnet field ctr, wuhan 430074, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;gao, gy (reprint author), huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china.;guoying_gao@mail.hust.edu.cn; klyao@mail.hust.edu.cn
关键词	Room-temperature Ferromagnetism Molecular-beam Epitaxy Crsb Cras Spintronics State Mnas
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/59955
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	G. Y. Gao,K. L. Yao. Bulk and surface half-metallicity: Metastable zinc-blende TiSb[J]. Journal of Applied Physics,2012,112(2).
APA	G. Y. Gao,&K. L. Yao.(2012).Bulk and surface half-metallicity: Metastable zinc-blende TiSb.Journal of Applied Physics,112(2).
MLA	G. Y. Gao,et al."Bulk and surface half-metallicity: Metastable zinc-blende TiSb".Journal of Applied Physics 112.2(2012).