Nano Research

, 2:844

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

  • Lin Lai
  • Jing Lu
  • Lu Wang
  • Guangfu Luo
  • Jing Zhou
  • Rui Qin
  • Yu Chen
  • Hong Li
  • Zhengxiang Gao
  • Guangping Li
  • Wai Ning Mei
  • Yutaka Maeda
  • Takeshi Akasaka
  • Stefano Sanvito
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

Authors and Affiliations

  • Lin Lai
    • 1
  • Jing Lu
    • 1
    • 2
  • Lu Wang
    • 1
  • Guangfu Luo
    • 1
  • Jing Zhou
    • 1
  • Rui Qin
    • 1
  • Yu Chen
    • 1
  • Hong Li
    • 1
  • Zhengxiang Gao
    • 1
  • Guangping Li
    • 3
  • Wai Ning Mei
    • 2
  • Yutaka Maeda
    • 4
    • 5
  • Takeshi Akasaka
    • 6
  • Stefano Sanvito
    • 7
  1. 1.State Key Laboratory for Mesoscopic Physics and Department of PhysicsPeking UniversityBeijingChina
  2. 2.University of Nebraska at OmahaOmahaUSA
  3. 3.SICAS CenterOneontaUSA
  4. 4.Department of ChemistryTokyo Gakugei UniversityTokyoJapan
  5. 5.PRESTOJapan Science and Technology AgencySaitamaJapan
  6. 6.Center for Tsukuba Advanced Research AllianceUniversity of TsukubaIbarakiJapan
  7. 7.School of Physics and CRANNTrinity CollegeDublin 2Ireland