Substrate-induced bandgap in graphene on hexagonal boron nitride

Details Substrate-induced bandgap in graphene on hexagonal boron nitride Substrate-induced bandgap in graphene on hexagonal boron nitride

2007-04-16

arxiv.org/abs/0704.1994v2

Phys. Rev B. 76, 073103 (2007)

Physics

Condensed Matter

Materials Science

5 pages, 4 figures, Phys. Rev. B, in press

Scientific paper

We determine the electronic structure of a graphene sheet on top of a lattice-matched hexagonal boron nitride (h-BN) substrate using ab initio density functional calculations. The most stable configuration has one carbon atom on top of a boron atom, the other centered above a BN ring. The resulting inequivalence of the two carbon sites leads to the opening of a gap of 53 meV at the Dirac points of graphene and to finite masses for the Dirac fermions. Alternative orientations of the graphene sheet on the BN substrate generate similar band gaps and masses. The band gap induced by the BN surface can greatly improve room temperature pinch-off characteristics of graphene-based field effect transistors.

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