Semi-empirical phonon calculations for graphene on different substrates

Pereira Coutada Miranda, Henrique; Molina-Sanchez, Alejandro; Wirtz, Ludger

Reference : Semi-empirical phonon calculations for graphene on different substrates


	Document type :	Scientific congresses, symposiums and conference proceedings : Poster
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics
	To cite this reference:	http://hdl.handle.net/10993/18016

Title :	Semi-empirical phonon calculations for graphene on different substrates
Language :	English
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 >]
Publication date :	2-Apr-2014
Peer reviewed :	No
On invitation :	No
Event name :	Deutsche Physikalische Gesellschaft
Event date :	from 30-03-2014 to 04--04-2014
Keywords :	[en] 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.
Funders :	Fonds National de la Recherche - FnR
Target :	Researchers ; Students
Permalink :	http://hdl.handle.net/10993/18016

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