Dresden 2014 – scientific programme

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O: Fachverband Oberflächenphysik

O 65: Poster: Graphene (HL jointly with MA, O)

O 65.1: Poster

Wednesday, April 2, 2014, 17:00–20:00, P1

Semi-empirical phonon calculations for graphene on different substrates — •Henrique Miranda, Alejandro Molina-Sanchez, and Ludger Wirtz — Physics and Materials Science Research Unit, UNIVERSITÉ DU LUXEMBOURG, Luxembourg

We investigate the graphene-substrate interaction via changes in the phonon dispersion of graphene. Ab-initio calculations on these systems are of high computational cost due to the non-commensurability of the unit cells of graphene and the substrate. This leads to the formation of Moiré patterns with accordingly large supercell sizes. We use a semi-empirical force constant model for the calculation of phonons of graphene on different metallic and insulating substrates. The interaction of graphene with the substrate is described via suitably chosen spring constants. The phonon dispersion in the primitive unit cell of graphene is obtained via an "unfolding procedure" similar to the ones used for the discussion of ARPES (angular resolved photo-emission spectroscopy) of graphene on incommensurate substrates.