First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase

doi:10.1002/pssb.201046470

IMR OpenIR

	First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase
	Huang, H. M.1; Luo, S. J.1; Yao, K. L.2,3
通讯作者	Huang, H. M.(smilehhm@163.com)
	2011-05-01
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) Ga1-xCrxP 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. Ga1-xCrxP 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 Ga1-xCrxP as a function of lattice constant is also discussed. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
关键词	dilute magnetic semiconductors density functional theory electron density of states GaCrP
资助者	National Natural Science Foundation of China ; Excellent Middle Age and the Youth People Science and Technology Creative Team Foundation of the Educational Department of the Hubei Province
DOI	10.1002/pssb.201046470
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[10974048] ; Excellent Middle Age and the Youth People Science and Technology Creative Team Foundation of the Educational Department of the Hubei Province[T200805]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000289997700043
出版者	WILEY-BLACKWELL
引用统计	被引频次：8[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/321006/103481
专题	中国科学院金属研究所
通讯作者	Huang, H. M.
作者单位	1.Hubei Univ Automot Technol, Sch Sci, Shiyan 442002, Peoples R China 2.Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China
推荐引用方式 GB/T 7714	Huang, H. M.,Luo, S. J.,Yao, K. L.. First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,2011,248(5):1258-1263.
APA	Huang, H. M.,Luo, S. J.,&Yao, K. L..(2011).First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,248(5),1258-1263.
MLA	Huang, H. M.,et al."First-principles study on the electronic structure of dilute magnetic semiconductor Ga1-xCrxP in zinc-blende phase".PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248.5(2011):1258-1263.