Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations

By G. Giovannetti, P. Khomyakov, G. Brocks, P. Kelly, J. V. D. Brink. 2007

1,310 citations recorded by the source corpus.

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, and 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.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/4d9631ae86dffa4bf18927694499c3cc95d11585

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In Atomic and Molecular Physics, and Optics

In Materials Chemistry

Citations in the corpus

Bandgap opening in graphene induced by patterned hydrogen adsorption. (2010, background): “Several schemes have been proposed to open a tunable bandgap in graphen”
Raman Spectroscopic Characterization of Graphene (2010, background): “A band gap appears at the K point of the Brillouin zone of strained grapheme, which can be attributed to the breaking of sublattice symmetry ( 88 – 90 ).”