Ab Initio Study of the Structural and Electronic Properties of the Graphene/SiC{0001} Interface

Abstract:

Employing density functional theory we investigate the model interface between 1 × 1-6H-SiC{0001} surfaces and graphene layers. We find that the first graphene layer is covalently bonded to the SiC substrate, opposing the earlier assumption of a weak van-der-Waals bonding. The interface at the Si-face is metallic, while on the C-face it remains semiconducting. Further graphene layers are then only weakly bound and the typical graphitic properties of the electronic structure appear.

• Periodical: Materials Science Forum (Volumes 556-557)
• Pages: 693-696
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.556-557.693
• Online since: September 2007
• Authors: Alexander Mattausch, Oleg Pankratov
• Keywords: Electronic Structure, Graphene/SiC Interface

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