Interface engineering of epitaxial graphene on SiC(000(1)over-bar) via fluorine intercalation: A first principles study

Our first-principles calculations show that a change of carrier type from electron to hole can be achieved in monolayer epitaxial graphene on SiC(000 (1) over bar) by fluorine (F) intercalation. The p-doping level in graphene, however, is not monotonously enhanced as the F coverage increases, and an interesting interface magnetism is observed at the partially passivated interface. Because intercalated F atoms prefer to bond to the substrate than to the graphene, F-intercalation provides a promising way of interface modulation doping to tailor the electronic properties of epitaxial graphene on SiC(000 (1) over bar) without appreciably degrading its intrinsic high mobility. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692586]