• 文献标题:   Ab initio study of graphene on SiC
  • 文献类型:   Article
  • 作  者:   MATTAUSCH A, PANKRATOV O
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007
  • 通讯作者地址:   Univ Erlangen Nurnberg
  • 被引频次:   393
  • DOI:   10.1103/PhysRevLett.99.076802
  • 出版年:   2007

▎ 摘  要

Employing density-functional calculations we study single and double graphene layers on Si- and C-terminated 1x1-6H-SiC surfaces. We show that, in contrast with earlier assumptions, the first carbon layer is covalently bonded to the substrate and cannot be responsible for the graphene-type electronic spectrum observed experimentally. The characteristic spectrum of freestanding graphene appears with the second carbon layer, which exhibits a weak van der Waals bonding to the underlying structure. For Si-terminated substrate, the interface is metallic, whereas on C face it is semiconducting or semimetallic for single or double graphene coverage, respectively.