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
刊名	Applied Physics Letters
	2009
卷号	94 期号:15
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
ISSN号	0003-6951
中文摘要	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.
原文出处	://WOS:000265285200052
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/31885]
专题	金属研究所_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).