Dresden 2011 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 98: Graphene VI
O 98.8: Vortrag
Freitag, 18. März 2011, 13:00–13:15, WIL A317
Adhesion of graphene on hexagonal boron nitride substrates: First-principles investigation within the random phase approximation — •Burkhard Sachs1, Tim Wehling1, Mikhail Katsnelson2, and Alexander Lichtenstein1 — 11. Institut für Theoretische Physik, Universität Hamburg, Jungiusstraße 9, D-20355 Hamburg, Germany — 2Institute for Molecules and Materials, Radboud University Nijmegen, NL-6525 AJ Nijmegen, The Netherlands
Hexagonal boron nitride (h-BN) substrates in graphene devices promise enhanced electron mobilities and low carrier inhomogeneities [1]. The stability of such compounds originates from weak adhesive long-range forces. By applying the random phase approximation (RPA) within the adiabatic connection fluctuation-dissipation theory (ACFDT), we investigate the adsorption of graphene sheets on h-BN substrates from first-principles. In detail, we obtain adhesion energies for different crystallographic stacking configurations and compare the results to experiments. Analyzing the elastic properties of graphene and h-BN, we discuss possible mechanisms leading to stacking disorder.
[1] C.R. Dean et al., Nature Nanotechnology 5, 722-726 (2010)