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Under pressure: control of strain, phonons and bandgap opening in rippled graphene

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Show simple item record Monteverde, U. Pal, J. Migliorato, M.A. Missous, M. Bangert, Ursel Zan, Recep Kashtiban, R. Powell, D. 2018-12-20T16:17:09Z 2018-12-20T16:17:09Z 2015
dc.identifier.citation Monteverde, U. and Pal, J. and Migliorato, M.A. and Missous, M. and Bangert, U. and Zan, R. and Kashtiban, R. and Powell, D. (2015) 'Under pressure: Control of strain, phonons and bandgap opening in rippled graphene'. Carbon, 91 :266-276. en_US
dc.description peer-reviewed en_US
dc.description.abstract Two-dimensional (2D) layers like graphene are subject to long-wavelength fluctuations that manifest themselves as strong height fluctuations (ripples). In order to control the ripples, their relationship with external strain needs to be established. We therefore perform molecular dynamics (MD) of suspended graphene, by the use of a newly developed force field model (MMP) that we prove to be extremely accurate for both C Diamond and Graphene. The MMP potential successfully reproduces the energy of the r-bonds in both sp3 and sp2 configuration. Our MD simulations and experimental electron microscopy analysis reveal that ordered and static ripples form spontaneously as a direct response to external pressure. Furthermore the morphology of graphene and strain response of the crystal bonds differ depending on the particular directions where external pressure is present. Different regions of the strained graphene sheet are then investigated by tight-binding. Localised bandgap opening is reported for specific strain combinations, which also results in particular signatures in the phonon spectrum. Such controllable morphological changes can therefore provide a means to practically control and tune the electronic and transport properties of graphene for applications as optoelectronic and nanoelectromechanical devices. en_US
dc.language.iso eng en_US
dc.publisher Elsevier en_US
dc.relation.ispartofseries Carbon;91, pp. 266-274
dc.subject graphene en_US
dc.title Under pressure: control of strain, phonons and bandgap opening in rippled graphene en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US 2018-12-20T15:53:50Z
dc.description.version PUBLISHED
dc.identifier.doi 10.1016/j.carbon.2015.04.044
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US
dc.internal.rssid 2738627
dc.internal.copyrightchecked No
dc.identifier.journaltitle Carbon
dc.description.status peer-reviewed

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