2008
DOI: 10.1103/physrevlett.100.176802
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Origin of Anomalous Electronic Structures of Epitaxial Graphene on Silicon Carbide

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 6x6 domain pattern emerges out of a larger commensurate 6 sqrt [3] x 6 sqrt [3]R30 degrees periodic interfacial reconstruction, resolving a long standing experimental controversy on the periodicity of the interfacial sup… Show more

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Cited by 376 publications
(461 citation statements)
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“…After hydrogen intercalation, the moiré patterns around both the LEED spots of the bulk SiC and the graphene with R0° disappeared, and the LEED pattern of graphene with R30° was observed (see Figure S2d-f in Supporting Information). 27 The hydrogen intercalation suggests 7 that the interface structure is a zeroth-layer graphene with R30°, which is chemically bonded to the bulk SiC.…”
Section: Introductionmentioning
confidence: 99%
“…After hydrogen intercalation, the moiré patterns around both the LEED spots of the bulk SiC and the graphene with R0° disappeared, and the LEED pattern of graphene with R30° was observed (see Figure S2d-f in Supporting Information). 27 The hydrogen intercalation suggests 7 that the interface structure is a zeroth-layer graphene with R30°, which is chemically bonded to the bulk SiC.…”
Section: Introductionmentioning
confidence: 99%
“…Between EMG and the SiC substrate, there is an interfacial carbon layer, which has a graphene-like honeycomb lattice and is covalently bonded to the SiC substrate [53,54]. This will change the lattice constant as well as the electronic properties of the substrate.…”
Section: Nano Researchmentioning
confidence: 99%
“…The bulk lattice constant we used for SiC was 3.073 Å [82], while that for graphene was 2.456 Å [83]. It is obvious that the 13 × 13 graphene (31.923 Å) matches the 6R3 lattice (31.935 Å) quite well [53]. On the other hand, the 2 × 2 graphene (4.9 Å) does not match the R3 structure (5.34 Å) (small black circles).…”
Section: Nano Researchmentioning
confidence: 99%
“…All the calculations are performed using the method based on density functional theory in the local spin density approximation (LSDA) as implemented in the VASP code 8 , which is known to describe the structural and electronic properties of graphite quite well 9,10 . The LSDA results are further checked by the generalized gradient approximation and the results are consistent with each other.…”
Section: Fig 1: (Color Online)mentioning
confidence: 99%