• 文献标题:   Correlated Magnetic States in Extended One-Dimensional Defects in Graphene
  • 文献类型:   Article
  • 作  者:   ALEXANDRE SS, LUCIO AD, NETO AHC, NUNES RW
  • 作者关键词:   graphene, defect, grain boundarie, quasi1d electronic state, magnetic instability, calculation
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Univ Fed Minas Gerais
  • 被引频次:   60
  • DOI:   10.1021/nl3017434
  • 出版年:   2012

▎ 摘  要

Ab initio calculations indicate that while the electronic states introduced by tilt grain boundaries in graphene are only partially confined to the defect core, a translational grain boundary introduces states near the Fermi level that are very strongly confined to the core of the defect, and display a ferromagnetic instability. The translational boundary lies along a graphene zigzag direction and its magnetic state is akin to that which has been theoretically predicted to occur on zigzag edges of graphene ribbons. Unlike ribbon edges, the translational grain boundary is fully immersed within the bulk of graphene, hence its magnetic state is protected from the contamination and reconstruction effects that have hampered experimental detection of the magnetic ribbon states. Moreover, our calculations suggest that charge transfer between grain boundaries and the bulk in graphene is short ranged, with charge redistribution confined to similar to 5 angstrom from the geometric center of the 1D defects.