Reference : Semi-empirical phonon calculations for graphene on different substrates
Scientific congresses, symposiums and conference proceedings : Poster
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/18016
Semi-empirical phonon calculations for graphene on different substrates
English
Pereira Coutada Miranda, Henrique mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Molina-Sanchez, Alejandro mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Wirtz, Ludger mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
2-Apr-2014
No
No
Deutsche Physikalische Gesellschaft
from 30-03-2014 to 04--04-2014
[en] graphene ; phonons
[en] 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.
Fonds National de la Recherche - FnR
Researchers ; Students
http://hdl.handle.net/10993/18016

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