Origin of the high p-doping in F intercalated graphene on SiC

Yingchun Cheng, Thaneshwor P. Kaloni, G. S. Huang, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

Abstract

The atomic and electronic structures of F intercalated epitaxialgraphene on a SiC(0001) substrate are studied by first-principles calculations. A three-step fluorination process is proposed. First, F atoms are intercalated between the graphene and the SiC, which restores the Dirac point in the band structure. Second, saturation of the topmost Si dangling bonds introduces p-doping up to 0.37 eV. Third, F atoms bond covalently to the graphene to enhance the p-doping. Our model explains the highly p-doped state of graphene on SiC after fluorination [A. L. Walter et al., Appl. Phys. Lett. 98, 184102 (2011)].
Original languageEnglish (US)
Pages (from-to)053117
JournalApplied Physics Letters
Volume99
Issue number5
DOIs
StatePublished - Aug 4 2011

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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