• 文献标题:   Long-range ferromagnetic graphene via compensated Fe/NO2 co-doping
  • 文献类型:   Article
  • 作  者:   ZHANG RQ, LUO YF, QI SF, XU XH
  • 作者关键词:   graphene ferromagnetism np co doping, first principles calculation
  • 出版物名称:   APPLIED SURFACE SCIENCE
  • ISSN:   0169-4332 EI 1873-5584
  • 通讯作者地址:   Shanxi Normal Univ
  • 被引频次:   12
  • DOI:   10.1016/j.apsusc.2014.03.195
  • 出版年:   2014

▎ 摘  要

We performed first-principles density functional theory calculation to investigate the electronic structures and magnetic properties of Fe/1\102 co-doped graphene. First, our study shows that the Fe/1\102 co-doped graphene preserves the unique linear dispersion of the charge carriers. More importantly, NO2 co-doping is a much effective way to compensate the shifting of EF, which can facilitate the Fe adsorbed graphene systems to retain the unique properties of graphene. Second, magnetic exchange energy calculation finds that long-range ferromagnetic coupling exists between two n-p pairs and the coupling strength can be obviously improved after NO2 co-doping. 2014 Elsevier B.V. All rights reserved.