TY - JOUR
T1 - Origin of anomalous electronic structures of epitaxial graphene on silicon carbide
AU - Kim, Seungchul
AU - Ihm, Jisoon
AU - Choi, Hyoung Joon
AU - Son, Young Woo
N1 - Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2008/4/29
Y1 - 2008/4/29
N2 - On the basis of first-principles calculations, we report that a novel interfacial atomic structure occurs between graphene and the surface of silicon carbide, destroying the Dirac point of graphene and opening a substantial energy gap there. In the calculated atomic structures, a quasiperiodic 6×6 domain pattern emerges out of a larger commensurate 63×63R30° periodic interfacial reconstruction, resolving a long standing experimental controversy on the periodicity of the interfacial superstructures. Our theoretical energy spectrum shows a gap and midgap states at the Dirac point of graphene, which are in excellent agreement with the recently observed anomalous angle-resolved photoemission spectra. Beyond solving unexplained issues in epitaxial graphene, our atomistic study may provide a way to engineer the energy gaps of graphene on substrates.
AB - On the basis of first-principles calculations, we report that a novel interfacial atomic structure occurs between graphene and the surface of silicon carbide, destroying the Dirac point of graphene and opening a substantial energy gap there. In the calculated atomic structures, a quasiperiodic 6×6 domain pattern emerges out of a larger commensurate 63×63R30° periodic interfacial reconstruction, resolving a long standing experimental controversy on the periodicity of the interfacial superstructures. Our theoretical energy spectrum shows a gap and midgap states at the Dirac point of graphene, which are in excellent agreement with the recently observed anomalous angle-resolved photoemission spectra. Beyond solving unexplained issues in epitaxial graphene, our atomistic study may provide a way to engineer the energy gaps of graphene on substrates.
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U2 - 10.1103/PhysRevLett.100.176802
DO - 10.1103/PhysRevLett.100.176802
M3 - Article
AN - SCOPUS:43049117196
VL - 100
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 17
M1 - 176802
ER -