Nano Research

, 2:844

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

Authors

  • Lin Lai
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
    • University of Nebraska at Omaha
  • Lu Wang
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
  • Guangfu Luo
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
  • Jing Zhou
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
  • Rui Qin
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
  • Yu Chen
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
  • Hong Li
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
    • State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking University
  • Guangping Li
    • SICAS Center
  • Wai Ning Mei
    • University of Nebraska at Omaha
  • Yutaka Maeda
    • Department of ChemistryTokyo Gakugei University
    • PRESTOJapan Science and Technology Agency
  • Takeshi Akasaka
    • Center for Tsukuba Advanced Research AllianceUniversity of Tsukuba
  • Stefano Sanvito
    • School of Physics and CRANNTrinity College
Open AccessResearch Article

DOI: 10.1007/s12274-009-9081-0

Cite this article as:
Lai, L., Lu, J., Wang, L. et al. Nano Res. (2009) 2: 844. doi:10.1007/s12274-009-9081-0

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 nanoscrollsquasi-half-metalshalf-metalsgraphenespin-selectivespin filter
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Supplementary material

12274_2009_9081_MOESM1_ESM.pdf (251 kb)
Supplementary material, approximately 340 KB.

Copyright information

© Tsinghua University Press and Springer Berlin Heidelberg 2009