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

Basit Öğe Kaydı
dc.authorid0000-0002-3871-1647
dc.authorid0000-0001-6739-4348
dc.authorid0000-0002-6577-642X
dc.authorid0000-0001-8394-7854
dc.contributor.authorMonteverde, U.
dc.contributor.authorPal, J.
dc.contributor.authorMigliorato, M. A.
dc.contributor.authorMissous, M.
dc.contributor.authorBangert, U.
dc.contributor.authorZan, R.
dc.contributor.authorPowell, D.
dc.date.accessioned2019-08-01T13:38:39Z
dc.date.available2019-08-01T13:38:39Z
dc.date.issued2015
dc.departmentNiğde ÖHÜ
dc.description.abstractTwo-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 a-bonds in both sp(3) and sp(2) 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. (C) 2015 The Authors. Published by Elsevier Ltd.
dc.description.sponsorshipUK Engineering and Physical Sciences Research Council (EPSRC); Engineering and Physical Sciences Research Council [EP/H01182X/1]
dc.description.sponsorshipWe are indebted to Dr. Stephan Birner of nextnano GmbH for his help with the modification needed of the Tight Binding routines in the nextnano source code. We are also grateful to Prof S. Clark of Durham University (UK) and Prof R.J. Young FRS (University of Manchester) for valuable discussions. We like to thank the UK Engineering and Physical Sciences Research Council (EPSRC) for Doctoral Prize Fellowship. We would also like to acknowledge Dr. Brian May CBE, of the band Queen, for kindly granting us permission to use the song Under Pressure (Queen and David Bowie, 1981) as soundtrack for our molecular dynamics video (Video S1). Due to copyright reasons the song was not used.
dc.identifier.doi10.1016/j.carbon.2015.04.044
dc.identifier.endpage274
dc.identifier.issn0008-6223
dc.identifier.issn1873-3891
dc.identifier.scopus2-s2.0-84930211467
dc.identifier.scopusqualityQ1
dc.identifier.startpage266
dc.identifier.urihttps://dx.doi.org/10.1016/j.carbon.2015.04.044
dc.identifier.urihttps://hdl.handle.net/11480/3886
dc.identifier.volume91
dc.identifier.wosWOS:000356554500028
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthor[0-Belirlenecek]
dc.language.isoen
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.relation.ispartofCARBON
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleUnder pressure: Control of strain, phonons and bandgap opening in rippled graphene
dc.typeArticle

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