• 文献标题:   Graphene nanoflakes with large spin
  • 文献类型:   Article
  • 作  者:   WANG WL, MENG S, KAXIRAS E
  • 作者关键词:  
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Harvard Univ
  • 被引频次:   333
  • DOI:   10.1021/nl072548a
  • 出版年:   2008

▎ 摘  要

We investigate, using benzenoid graph theory and first-principles calculations, the magnetic properties of arbitrarily shaped finite graphene fragments to which we refer as graphene nanoflakes (GNFs). We demonstrate that the spin of a GNF depends on its shape due to topological frustration of the pi-bonds. For example, a zigzag-edged triangular GNF has a nonzero net spin, resembling an artificial ferrimagnetic atom, with the spin value scaling with its linear size. In general, the principle of topological frustration can be used to introduce large net spin and interesting spin distributions in graphene. These results suggest an avenue to nanoscale spintronics through the sculpting of graphene fragments.