Poster (Scientific congresses, symposiums and conference proceedings)
Semi-empirical phonon calculations for graphene on different substrates
Pereira Coutada Miranda, Henrique; Molina-Sanchez, Alejandro; Wirtz, Ludger
2014Deutsche Physikalische Gesellschaft
 

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Keywords :
graphene; phonons
Abstract :
[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.
Disciplines :
Physics
Author, co-author :
Pereira Coutada Miranda, Henrique ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Molina-Sanchez, Alejandro ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Wirtz, Ludger ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
Language :
English
Title :
Semi-empirical phonon calculations for graphene on different substrates
Publication date :
02 April 2014
Event name :
Deutsche Physikalische Gesellschaft
Event date :
from 30-03-2014 to 04--04-2014
Funders :
FNR - Fonds National de la Recherche [LU]
Available on ORBilu :
since 19 September 2014

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