Half-metallic ferromagnetism in C-doped ZnS: Density functional calculations

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	Half-metallic ferromagnetism in C-doped ZnS: Density functional calculations
	S. W. Fan; K. L. Yao; Z. L. Liu
	2009
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	94 期号:15
摘要	Using the full-potential linearized augmented plane wave method, we study the magnetism and electronic structures of C-doped ZnS (zinc-blende structure). Calculations indicate that C can induce stable ferromagnetic ground state in ZnS hosts. The magnetic moment of the 64-atom supercell (containing one C(S) defect) is 2.00 mu(B). Low formation energy implies ZnS(0.96 875)C(0.03 125) can be fabricated experimentally. Electronic structures show C-doped ZnS is p-type half-metallic ferromagnetic semiconductor and hole-mediated double exchange is responsible for the ferromagnetism. Relative shallow acceptor levels indicate C-doped ZnS is ionized easily at working temperatures. Several doped configurations calculations suggest ferromagnetic couplings exist between the doped carbon atoms.
部门归属	[fan, s. w.; yao, k. l.; liu, z. 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), huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china;fansw1129@126.com klyao@mail.hust.edu.cn
关键词	Apw Calculations Carbon Density Functional Theory Electronic Structure Exchange Interactions (Electron) Ferromagnetic Materials Ii-vi Semiconductors Magnetic Moments Magnetic Semiconductors Zinc Compounds Thin-films Semiconductors Gan
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WOS记录号	WOS:000265285200052
引用统计	被引频次：102[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/321006/31885
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. W. Fan,K. L. Yao,Z. L. Liu. Half-metallic ferromagnetism in C-doped ZnS: Density functional calculations[J]. Applied Physics Letters,2009,94(15).
APA	S. W. Fan,K. L. Yao,&Z. L. Liu.(2009).Half-metallic ferromagnetism in C-doped ZnS: Density functional calculations.Applied Physics Letters,94(15).
MLA	S. W. Fan,et al."Half-metallic ferromagnetism in C-doped ZnS: Density functional calculations".Applied Physics Letters 94.15(2009).