Electronic structure and carrier mobilities of twisted graphene helix

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dc.contributor.authorThakur, R
dc.contributor.authorAhluwalia, P.K
dc.contributor.authorKumar, A
dc.contributor.authorMohan, B
dc.contributor.authorSharma, R.
dc.date.accessioned2020-07-16T07:41:52Z
dc.date.accessioned2024-08-13T12:44:22Z
dc.date.available2020-07-16T07:41:52Z
dc.date.available2024-08-13T12:44:22Z
dc.date.issued2020
dc.description.abstractDensity functional theory based calculations have been carried out to investigate the effect of twisting on electronic band structures and carrier mobilities of three prototypes of armchair graphene nanoribbons (AGNRs) within the fixed boundary conditions. It is found that twisting causes a modification in the bandgap values and the overall shape of band structures. The values of longitudinal acoustic deformation potential (DP) are found to be higher than the torsional acoustic DP values. The torsional strain is also found to have a profound effect on effective mass and mobilities of given AGNRs. The hole mobility of hydrogen passivated N = 8 AGNRs is found to be comparable with the carrier mobility of intrinsic graphene. The electron mobility of N = 8 AGNRs can be further increased with fluorine passivation. The width, passivation, and extent of twisting together determine n-type or p-type behavior of AGNRs. Fluorine passivated AGNRs are predicted to be potential candidates for mechanical and high-frequency switching. Our results suggest that twisting of AGNRs can be an effective mean for tuning their band structure and carrier mobility for applications in high-speed switching devices. 2020 Elsevier B.V.en_US
dc.identifier.doi10.1016/j.physe.2020.114280
dc.identifier.issn13869477
dc.identifier.urihttp://10.2.3.109/handle/32116/2630
dc.identifier.urlhttps://www.sciencedirect.com/science/article/pii/S138694771931865X?dgcid=rss_sd_all
dc.language.isoen_USen_US
dc.publisherElsevieren_US
dc.titleElectronic structure and carrier mobilities of twisted graphene helixen_US
dc.title.journalPhysica E: Low-Dimensional Systems and Nanostructuresen_US
dc.typeArticleen_US
dc.type.accesstypeClosed Accessen_US

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