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Ab Initio Study of Graphene on SiC
Open accessAbstract
Employing density-functional calculations we study single and double graphene layers on Si- and C-terminated 1x1-6H-SiC surfaces. We show that, in contrast with earlier assumptions, the first carbon layer is covalently bonded to the substrate and cannot be responsible for the graphene-type electronic spectrum observed experimentally. The characteristic spectrum of freestanding graphene appears with the second carbon layer, which exhibits a weak van der Waals bonding to the underlying structure. For Si-terminated substrate, the interface is metallic, whereas on C face it is semiconducting or semimetallic for single or double graphene coverage, respectively.
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Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Cited by
The electronic properties of graphene
Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S., & Geim, A. K. (2009) · Reviews of Modern Physics · doi:10.1103/revmodphys.81.109 · Cited by 24,803
Epitaxial graphene on ruthenium
Sutter, P. W., Flege, J.-I., & Sutter, E. A. (2008) · Nature Materials · doi:10.1038/nmat2166 · Cited by 2,346
Emtsev, K. V., Speck, F., Seyller, T., Ley, L., & Riley, J. D. (2008) · Physical Review B · doi:10.1103/physrevb.77.155303 · Cited by 936
Origin of Anomalous Electronic Structures of Epitaxial Graphene on Silicon Carbide
Kim, S., Ihm, J., Choi, H. J., & Son, Y.-W. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.176802 · Cited by 386
Growth of epitaxial graphene: Theory and experiment
Tetlow, H., Posthuma de Boer, J., Ford, I. J., Vvedensky, D. D., Coraux, J., & Kantorovich, L. (2014) · Physics Reports · doi:10.1016/j.physrep.2014.03.003 · Cited by 274
Metadata
- Authors
- Mattausch, A., & Pankratov, O.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2007-08-15
- Volume
- 99
- Issue
- 7
- Pages
- 076802-076802
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2033745067
- Cited by
- 509
- References
- 2
- FWCI
- 18.83
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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