Open AccessOrigin of the high p-doping in F intercalated graphene on SiC
Author(s) -
Yingchun Cheng,
T. P. Kaloni,
Gaoshan Huang,
Udo Schwingenschlögl
Publication year - 2011
Publication title -
applied physics letters
Language(s) - English
Resource type - Journals
eISSN - 1077-3118
pISSN - 0003-6951
DOI - 10.1063/1.3623484
Subject(s) - graphene , dangling bond , doping , materials science , covalent bond , graphene nanoribbons , condensed matter physics , substrate (aquarium) , electronic structure , nanotechnology , chemical physics , crystallography , silicon , chemistry , optoelectronics , physics , organic chemistry , oceanography , geology
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)]
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