Origins of anomalous electronic structures of epitaxial graphene on silicon carbide

Details Origins of anomalous electronic structures of epitaxial graphene on silicon carbide Origins of anomalous electronic structures of epitaxial graphene on silicon carbide

2007-12-18

arxiv.org/abs/0712.2897v2

Phys. Rev. Lett. 100, 176802 (2008)

Physics

Condensed Matter

Materials Science

Additional references added; published version; 4 pages, 4 figures

Scientific paper

10.1103/PhysRevLett.100.176802

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 quasi-periodic $6\times 6$ domain pattern emerges out of a larger commensurate $6\sqrt{3}\times6\sqrt{3}R30^\circ$ 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 of epitaxial graphene, our atomistic study may provide a way to engineer the energy gaps of graphene on substrates.

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