Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2011-05-12
Phys. Rev. B 84, 195414 (2011)
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
8 pages, 8 figures, revised and extended version, to appear in Phys. Rev. B
Scientific paper
10.1103/PhysRevB.84.195414
We investigate the adsorption of graphene sheets on h-BN substrates by means of first-principles calculations in the framework of adiabatic connection fluctuation-dissipation theory in the random phase approximation. We obtain adhesion energies for different crystallographic stacking configurations and show that the interlayer bonding is due to long-range van der Waals forces. The interplay of elastic and adhesion energies is shown to lead to stacking disorder and moir\'e structures. Band structure calculations reveal substrate induced mass terms in graphene which change their sign with the stacking configuration. The dispersion, absolute band gaps and the real space shape of the low energy electronic states in the moir\'e structures are discussed. We find that the absolute band gaps in the moir\'e structures are at least an order of magnitude smaller than the maximum local values of the mass term. Our results are in agreement with recent STM experiments.
Katsnelson Mikhail I.
Lichtenstein Alexander I.
Sachs B.
Wehling Tim O.
No associations
LandOfFree
Adhesion and electronic structure of graphene on hexagonal boron nitride substrates does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Adhesion and electronic structure of graphene on hexagonal boron nitride substrates, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Adhesion and electronic structure of graphene on hexagonal boron nitride substrates will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-496585