• 文献标题:   Bilayer graphene films over Ru(0001) surface: Ab-initio calculations and STM images simulation
  • 文献类型:   Article
  • 作  者:   KROEGER DA, CISTERNAS E, CORREA JD
  • 作者关键词:   ru 0001, bilayer graphene, stm
  • 出版物名称:   SURFACE SCIENCE
  • ISSN:   0039-6028 EI 1879-2758
  • 通讯作者地址:   Univ La Frontera
  • 被引频次:   3
  • DOI:   10.1016/j.susc.2014.10.010
  • 出版年:   2015

▎ 摘  要

With the aim of better understanding recent experimental results, we performed density functional theory calculations (DFT), including van der Waals interactions, on bilayer graphene over a Ru(0001) surface. Two stacking sequences (AB and AA) for bilayer graphene were considered and compared with monolayer graphene. For each case relaxed atomic positions, calculated STM images and density of states were obtained and these are discussed in detail. Our results suggest that moire patterns of graphene over a Ru(0001) surface have a remarkable electronic influence, whose origin is the coupling of graphene layers and the Ru(0001) surface. Additionally, we found that atomic lattice observed by STM on such moire patterns is related with stacking sequence of bilayer graphene. (C) 2014 Elsevier B.V. All rights reserved.