• 文献标题:   Graphene on the C-terminated SiC (0001) surface: An ab initio study
  • 文献类型:   Article
  • 作  者:   MAGAUD L, HIEBEL F, VARCHON F, MALLET P, VEUILLEN JY
  • 作者关键词:   ab initio calculation, adsorbed layer, band structure, graphene, silicon compound, surface reconstruction
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   CNRS UJF
  • 被引频次:   56
  • DOI:   10.1103/PhysRevB.79.161405
  • 出版年:   2009

▎ 摘  要

The atomic and electronic structures of a graphene layer on top of the (2x2) reconstruction of the SiC (0001) surface are studied from ab initio calculations. At variance with the (0001) face, no C buffer layer is found here. Si adatoms passivate the substrate surface so that the very first C layer presents a linear dispersion characteristic of graphene. A small graphene-substrate interaction remains in agreement with scanning tunneling experiments [F. Hiebel, P. Mallet, F. Varchon, L. Magaud, and J.-Y. Veuillen, Phys. Rev. B 78, 153412 (2008)]. The stacking geometry has little influence on the interaction which explains the rotational disorder observed on this face.