Electronic properties of Li-doped zigzag graphene nanoribbons

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buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage547en_US
dc.citation.spage543en_US
dc.citation.volumeNumber84en_US
dc.contributor.authorNarin, P.en_US
dc.contributor.authorKutlu, E.en_US
dc.contributor.authorSarikavak-Lisesivdin, B.en_US
dc.contributor.authorLisesivdin, S. B.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2018-04-12T10:53:14Z
dc.date.available2018-04-12T10:53:14Z
dc.date.issued2016en_US
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractZigzag graphene nanoribbons (ZGNRs) are known to exhibit metallic behavior. Depending on structural properties such as edge status, doping and width of nanoribbons, the electronic properties of these structures may vary. In this study, changes in electronic properties of crystal by doping Lithium (Li) atom to ZGNR structure are analyzed. In spin polarized calculations are made using Density Functional Theory (DFT) with generalized gradient approximation (GGA) as exchange correlation. As a result of calculations, it has been determined that Li atom affects electronic properties of ZGNR structure significantly. It is observed that ZGNR structure exhibiting metallic behavior in pure state shows half-metal and semiconductor behavior with Li atom.en_US
dc.identifier.doi10.1016/j.physe.2016.06.018en_US
dc.identifier.issn1386-9477
dc.identifier.urihttp://hdl.handle.net/11693/36785
dc.language.isoEnglishen_US
dc.publisherElsevier B.V.en_US
dc.relation.isversionofhttp://dx.doi.org/10.1016/j.physe.2016.06.018en_US
dc.source.titlePhysica E: Low-Dimensional Systems and Nanostructuresen_US
dc.subjectDFTen_US
dc.subjectDopingen_US
dc.subjectElectronic propertiesen_US
dc.subjectNanoribbonen_US
dc.titleElectronic properties of Li-doped zigzag graphene nanoribbonsen_US
dc.typeArticleen_US
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Department of Electrical and Electronics Engineering
Department of Physics
Nanotechnology Research Center (NANOTAM)