First-principles study on the electronic structure of dilute magnetic semiconductor Ga(1-x)Cr(x)P in zinc-blende phase

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	First-principles study on the electronic structure of dilute magnetic semiconductor Ga(1-x)Cr(x)P in zinc-blende phase
	H. M. Huang; S. J. Luo; K. L. Yao
	2011
发表期刊	Physica Status Solidi B-Basic Solid State Physics
ISSN	0370-1972
卷号	248 期号:5 页码:1258-1263
摘要	We employ the full potential linearized augmented plane wave (FP-LAPW) method based on spin-polarized density functional theory (DFT) in order to investigate the structural, electronic, and magnetic properties of ordered dilute magnetic semiconductor (DMS) Ga(1-x)Cr(x)P in zinc-blende phase. The calculated electronic band structures and density of states of these DMSs are discussed. The results show that the ferromagnetic states are more favorable in energy than antiferromagnetic states. Ga(1-x)Cr(x)P for x = 0.125, 0.25, and 0.50 exhibits half-metallic (HM) characteristic with integral magnetic moment, and the sensitivity of half-metallicity of Ga(1-x)Cr(x)P as a function of lattice constant is also discussed. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
部门归属	[huang, h. m.; luo, s. j.] hubei univ automot technol, sch sci, shiyan 442002, 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.;huang, hm (reprint author), hubei univ automot technol, sch sci, shiyan 442002, peoples r china;smilehhm@163.com
关键词	Dilute Magnetic Semiconductors Density Functional Theory Electron Density Of States Gacrp Half-metallic Ferromagnets Heusler Alloys Doped Gap Spin Gaas Ge Al Si
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30407
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. M. Huang,S. J. Luo,K. L. Yao. First-principles study on the electronic structure of dilute magnetic semiconductor Ga(1-x)Cr(x)P in zinc-blende phase[J]. Physica Status Solidi B-Basic Solid State Physics,2011,248(5):1258-1263.
APA	H. M. Huang,S. J. Luo,&K. L. Yao.(2011).First-principles study on the electronic structure of dilute magnetic semiconductor Ga(1-x)Cr(x)P in zinc-blende phase.Physica Status Solidi B-Basic Solid State Physics,248(5),1258-1263.
MLA	H. M. Huang,et al."First-principles study on the electronic structure of dilute magnetic semiconductor Ga(1-x)Cr(x)P in zinc-blende phase".Physica Status Solidi B-Basic Solid State Physics 248.5(2011):1258-1263.