Electronic and optical characteristics of graphene on the molybdenum ditelluride substrate under the uniform mechanical stress

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dc.authoridKulyamin, Pavel/0000-0002-6097-2472
dc.authoridFlores-Moreno, Roberto/0000-0001-5060-1363
dc.contributor.authorKulyamin, Pavel A.
dc.contributor.authorKochaev, Aleksey I.
dc.contributor.authorMaslov, Mikhail M.
dc.contributor.authorFlores -Moreno, Roberto
dc.contributor.authorKaya, Savas
dc.contributor.authorKatin, Konstantin P.
dc.date.accessioned2024-10-26T18:09:40Z
dc.date.available2024-10-26T18:09:40Z
dc.date.issued2023
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThe study presents the effect of opening a semiconductor gap in graphene on the molybdenum ditelluride substrate under mechanical stresses using the density functional theory. It has been shown that uniform compression cannot only open the gap due to graphene sheet deformation but also adjust the gap size depending on the compression strength. The maximum gap found was 0.8 eV when the structure was compressed by 8 %, which is confirmed by further analysis of the UV-vis spectrum. Uniform stretching in contrast does not lead to a significant gap opening. The binding energy of the graphene sheet with the molybdenum ditelluride substrate does not change significantly when mechanical stresses are applied. An additional analysis of the Raman and IR spectra will make it possible to determine the degree of compression of graphene on a molybdenum ditelluride substrate in the experiment. In this case, the corresponding modes mainly correspond to vibrations of carbon atoms in the graphene plane or perpendicular to the substrate. The substrate itself does not make a significant contribution to these vibrational modes.
dc.description.sponsorshipMinistry of Science and Higher Education of the Russian Federation [FSWU-2023-0075]
dc.description.sponsorshipThis work was performed using the resources of the high-performance computer centre MEPhI. The work was partially supported by the Ministry of Science and Higher Education of the Russian Federation, project FSWU-2023-0075.
dc.identifier.doi10.1016/j.diamond.2023.110547
dc.identifier.issn0925-9635
dc.identifier.issn1879-0062
dc.identifier.scopus2-s2.0-85175573298
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.diamond.2023.110547
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30222
dc.identifier.volume140
dc.identifier.wosWOS:001111260600001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Sa
dc.relation.ispartofDiamond and Related Materials
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectGraphene
dc.subjectSubstrate
dc.subjectMolybdenum ditelluride
dc.subjectMechanical stress
dc.subjectGap opening
dc.subjectElectronic properties
dc.subjectOptical properties
dc.titleElectronic and optical characteristics of graphene on the molybdenum ditelluride substrate under the uniform mechanical stress
dc.typeArticle

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