TY - JOUR
T1 - Origin of the high p-doping in F intercalated graphene on SiC
AU - Cheng, Yingchun
AU - Kaloni, Thaneshwor P.
AU - Huang, G. S.
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2011/8/4
Y1 - 2011/8/4
N2 - 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)].
AB - 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)].
UR - http://hdl.handle.net/10754/552825
UR - http://scitation.aip.org/content/aip/journal/apl/99/5/10.1063/1.3623484
UR - http://www.scopus.com/inward/record.url?scp=80051583435&partnerID=8YFLogxK
U2 - 10.1063/1.3623484
DO - 10.1063/1.3623484
M3 - Article
SN - 0003-6951
VL - 99
SP - 053117
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 5
ER -