Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C-2 Dimers

doi:10.1021/acsami.6b07482

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	Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C-2 Dimers
	Zhao, Tianshan ; Zhou, Jian ; Wang, Qian ; Kawazoe, Tyoshiyuki ; Jena, Puru
刊名	ACS APPLIED MATERIALS & INTERFACES
	2016
关键词	ferromagnetism half-metallicity FeC2 monolayer C-2 dimer electronic structure 2-DIMENSIONAL MATERIALS MAGNETIC-PROPERTIES TRANSITION GRAPHENE 1ST-PRINCIPLES CARBOHEDRENES SILICENE CARBIDES FILMS IRON
DOI	10.1021/acsami.6b07482
英文摘要	Ferromagnetism and half-metallicity are two vital properties of a material for realizing its potential in spintronics applications. However, none of the two-dimensional (2D) pristine metal carbide sheets synthesized experimentally exhibits half-metallicity with ferromagnetic coupling. Here, a ferromagnetic and half-metallic FeC2 sheet containing isolated C-2 dimers rather than individual carbon atoms is predicted to be such a material. Based on state-of-the-art theoretical calculations, we show that the FeC2 sheet is dynamically, thermally, and mechanically stable and can be chemically exfoliated from the bulk phase of layered ThFeC2. Due to its unique atomic configuration, the FeC2 sheet exhibits ferromagnetism with a Curie temperature of 245 K. This is in contrast to its bulk counterpart, ThFeC2, which is paramagnetic. We also find that, unlike the metallic metal carbide sheets, the FeC2 sheet is half-metallic with semiconducting spin-up and metallic spin down channels. Moreover, half-metallicity can remain until an equi-biaxial strain of 10%. In addition, we provide the Raman and infrared spectra which can be used to identify this new 2D structure experimentally in the future.; National Natural Science Foundation of China [NSFC-51471004]; National Grand Fundamental Research 973 Program of China [2012CB921404]; Doctoral Program of Higher Education of China [20130001110033]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-96ER45579]; China Scholarship Council (CSC); SCI(E); PubMed; ARTICLE; qianwang2@pku.edu.cn; pjena@vcu.edu; 39; 26207-26212; 8
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/492918]
专题	工学院
推荐引用方式 GB/T 7714	Zhao, Tianshan,Zhou, Jian,Wang, Qian,et al. Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C-2 Dimers[J]. ACS APPLIED MATERIALS & INTERFACES,2016.
APA	Zhao, Tianshan,Zhou, Jian,Wang, Qian,Kawazoe, Tyoshiyuki,&Jena, Puru.(2016).Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C-2 Dimers.ACS APPLIED MATERIALS & INTERFACES.
MLA	Zhao, Tianshan,et al."Ferromagnetic and Half-Metallic FeC2 Monolayer Containing C-2 Dimers".ACS APPLIED MATERIALS & INTERFACES (2016).