Origin of anomalous electronic structures of epitaxial graphene on silicon carbide

Seungchul Kim, Jisoon Ihm, Hyoung Joon Choi, Young Woo Son

Research output: Contribution to journalArticle

308 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number176802
JournalPhysical review letters
Volume100
Issue number17
DOIs
Publication statusPublished - 2008 Apr 29

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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