Ab Initio Study of Graphene on SiC

Alexander Mattausch and Oleg Pankratov
Phys. Rev. Lett. 99, 076802 – Published 15 August 2007

Abstract

Employing density-functional calculations we study single and double graphene layers on Si- and C-terminated 1×16HSiC 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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  • Received 8 January 2007

DOI:https://doi.org/10.1103/PhysRevLett.99.076802

©2007 American Physical Society

Authors & Affiliations

Alexander Mattausch* and Oleg Pankratov

  • Theoretische Festkörperphysik, Universität Erlangen-Nürnberg, Staudtstrasse 7, 91058 Erlangen, Germany

  • *Alexander.Mattausch@physik.uni-erlangen.de

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Issue

Vol. 99, Iss. 7 — 17 August 2007

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