• 文献标题:   First-principles study of Ti intercalation between graphene and Au surface
  • 文献类型:   Article
  • 作  者:   KANEKO T, IMAMURA H
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   Natl Inst Adv Ind Sci Technol
  • 被引频次:   2
  • DOI:   10.1063/1.3604008
  • 出版年:   2011

▎ 摘  要

We investigate the effects of Ti intercalation between graphene and Au surface on binding energy and charge doping by using the first-principles calculations. We show that the largest binding energy is realized by the intercalation of single mono-layer of Ti. We also show that electronic structure is very sensitive to the arrangement of metal atoms at the interface. If the composition of the interface layer is Ti(0.33)Au(0.67) and the Ti is located at the top site, the Fermi level lies closely at the Dirac point, i.e., the Dirac cone of the ideal free-standing graphene is recovered. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3604008]