Research Article

Nano Research

, Volume 2, Issue 11, pp 844-850

Open Access This content is freely available online to anyone, anywhere at any time.

Magnetism in carbon nanoscrolls: Quasi-half-metals and half-metals in pristine hydrocarbons

  • Lin LaiAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Jing LuAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking UniversityUniversity of Nebraska at Omaha Email author 
  • , Lu WangAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Guangfu LuoAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Jing ZhouAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Rui QinAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Yu ChenAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Hong LiAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University
  • , Zhengxiang GaoAffiliated withState Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University Email author 
    • , Guangping LiAffiliated withSICAS Center
    • , Wai Ning MeiAffiliated withUniversity of Nebraska at Omaha
    • , Yutaka MaedaAffiliated withDepartment of Chemistry, Tokyo Gakugei UniversityPRESTO, Japan Science and Technology Agency
    • , Takeshi AkasakaAffiliated withCenter for Tsukuba Advanced Research Alliance, University of Tsukuba
    • , Stefano SanvitoAffiliated withSchool of Physics and CRANN, Trinity College

Abstract

A magnetic ground state is revealed for the first time in zigzag-edged carbon nanoscrolls (ZCNSs) from spinunrestricted density functional theory calculations. Unlike their flat counterpart—zigzag-edged carbon nanoribbons, which are semiconductors with spin-degenerate electronic structure—ZCNSs show a variety of magnetic configurations, namely spin-selective semiconductors, metals, semimetals, quasi-half-metals, and half-metals. To the best of our knowledge, this is the first discovery of quasi-half-metals and half-metals in a pure hydrocarbon without resort to an external electric field. In addition, we calculated the spin-dependent transportation of the semiconducting ZCNSs with 12 and 20 zigzag chains, and found that they are 13% and 17% at the Fermi level, respectively, suggesting that ZCNS can be an effective spin filter.

Keywords

Carbon nanoscrolls quasi-half-metals half-metals graphene spin-selective spin filter