• 文献标题:   Electronic and geometric structures of fluorine adsorbed graphene
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   IGAMI M, OKADA S, NAKADA K
  • 作者关键词:   density functional calculation, local density approximation, graphite related compound
  • 出版物名称:   SYNTHETIC METALS
  • ISSN:   0379-6779
  • 通讯作者地址:   Univ Tsukuba
  • 被引频次:   18
  • DOI:   10.1016/S0379-6779(00)00965-6
  • 出版年:   2001

▎ 摘  要

We study electronic and geometric structures of the fluorine adsorbed graphene sheet using an ab initio pseudopotential method. We find that the fluorine atom forms covalent bond with the carbon atom and locally terminates the pi -states on the graphene sheet. The charge distribution exhibits a typical root3 x root3 structure near the Fermi energy. This means that the doped fluorine atom acts as a local defect on the pi -electron network of a graphene sheet.