Electronic properties of zigzag ZnO nanoribbons with hydrogen and magnesium passivations

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buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage16en_US
dc.citation.spage12en_US
dc.citation.volumeNumber556en_US
dc.contributor.authorAbbas, J. M..en_US
dc.contributor.authorNarin, P.en_US
dc.contributor.authorKutlu, E.en_US
dc.contributor.authorLisesivdin, S. B.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2020-02-12T12:12:51Z
dc.date.available2020-02-12T12:12:51Z
dc.date.issued2018
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.departmentDepartment of Physicsen_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.departmentInstitute of Materials Science and Nanotechnology(UNAM)
dc.description.abstractIn this study, the electronic properties of ZnO nanoribbons with zigzag edges (ZZnONr) have been investigated with Density Functional Theory (DFT). After a geometric optimization, the electronic band structures, the density of states (DOS) of ZZnONr passivated with Hydrogen (H) and Magnesium (Mg) atoms were calculated ZZnONr. It is shown that the increasing width of ZZnONrs has led to a decrement in energy band gap of the studied structures. While ZZnONr passivated with Mg for Zn-rich edge have not been shown a spin dependency, the structure passivated with Mg for O-rich edge have exhibited spin-dependent band structure. The energetically most stable structures have been determined as ZZnONr passivated with Mg for Zn-rich edge. ZZnONr passivated with Mg atoms for both edges have a graphene-like band structure especially for 8 and 10 atom width structures and this property of ZZnONrs could be important in terms of the electron transport for ZZnONrs.en_US
dc.description.provenanceSubmitted by Onur Emek (onur.emek@bilkent.edu.tr) on 2020-02-12T12:12:51Z No. of bitstreams: 1 Bilkent-research-paper.pdf: 268963 bytes, checksum: ad2e3a30c8172b573b9662390ed2d3cf (MD5)en
dc.description.provenanceMade available in DSpace on 2020-02-12T12:12:51Z (GMT). No. of bitstreams: 1 Bilkent-research-paper.pdf: 268963 bytes, checksum: ad2e3a30c8172b573b9662390ed2d3cf (MD5) Previous issue date: 2018en
dc.embargo.release2021-03-01
dc.identifier.doi10.1016/j.physb.2018.12.003en_US
dc.identifier.issn0921-4526
dc.identifier.urihttp://hdl.handle.net/11693/53314
dc.language.isoEnglishen_US
dc.publisherElsevieren_US
dc.relation.isversionofhttps://doi.org/10.1016/j.physb.2018.12.003en_US
dc.source.titlePhysica B: Condensed Matteren_US
dc.subjectZnONren_US
dc.subjectPassivationen_US
dc.subjectDFTen_US
dc.subjectElectronic propertiesen_US
dc.titleElectronic properties of zigzag ZnO nanoribbons with hydrogen and magnesium passivationsen_US
dc.typeArticleen_US

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