• 文献标题:   Graphene and graphene nanoribbons on InAs(110) and Au/InAs(110) surfaces: An ab initio study
  • 文献类型:   Article
  • 作  者:   ANDRADE DP, MIWA RH, SRIVASTAVA GP
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Fed Uberlandia
  • 被引频次:   4
  • DOI:   10.1103/PhysRevB.84.165322
  • 出版年:   2011

▎ 摘  要

We have performed an ab initio investigation of graphene adsorption on clean and Au-covered InAs(110) surfaces. Total energy results reveal that the graphene sheet is weakly attached to such surfaces, with adsorption energy of approximately 25 meV/(C atom). Graphene nanoribbons, on the other hand, are more strongly adsorbed, with adsorption energy of approximately 45 meV/(C atom). Based upon our electronic band structure calculations, we find that there are small net charge transfers between the graphene sheet or ribbon and the clean or Au-covered InAs(110) surface. There is an electronic charge displacement in the graphene-surface interface region, giving rise to an electric dipole moment along the surface normal. Scanning tunneling microscopy simulations lend support to the recently proposed "transparency" effect of the graphene sheet adsorbed on the clean InAs(110) surface [He et al., Nano Lett. 10, 3446 (2010)] and suggest that the effect is maintained for adsorption on the metallic Au/InAs(110) surface.