期刊
PHYSICAL REVIEW LETTERS
卷 100, 期 17, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.100.176802
关键词
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资金
- National Research Foundation of Korea [핵06A2801, R01-2007-000-10654-0, 과06A1104, 2007-314-C00075] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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 6x6 domain pattern emerges out of a larger commensurate 6 root 3 x 6 root 3 root R30 degrees 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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