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dc.contributor.authorÖzaydın, H. Duygu
dc.contributor.authorŞahin, Hasan
dc.contributor.authorKang, J.
dc.contributor.authorPeeters, François M.
dc.contributor.authorSenger, Ramazan Tuǧrul
dc.date.accessioned2017-07-03T08:16:26Z
dc.date.available2017-07-03T08:16:26Z
dc.date.issued2015-10
dc.identifier.citationÖzaydın, H.D., Şahin, H., Kang, J., Peeters, F.M., and Senger, R.T. (2015). Electronic and magnetic properties of 1T-TiSe2 nanoribbons. 2D Materials, 2(4). doi:10.1088/2053-1583/2/4/044002en_US
dc.identifier.issn2053-1583
dc.identifier.urihttps://doi.org/10.1088/2053-1583/2/4/044002
dc.identifier.urihttp://hdl.handle.net/11147/5833
dc.description.abstractMotivated by the recent synthesis of single layer TiSe2,we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchairedged nanoribbons (NRs) of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 NRs have some distinctive properties. The electronic band gap of the NRs decreases exponentially with the width and vanishes for ribbons wider than 20 Å. For ultranarrow zigzag-edged NRs we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and arm chair edged ribbons have non-magnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase NRs of similar crystal structures.en_US
dc.description.sponsorshipFlemish Science Foundation (FWO-Vl); Methusalem foundation of the Flemish government; FWO Pegasus Long Marie Curie Fellowship; FWO Pegasus Short Marie Curie Fellowship; TUBITAK (114F397)en_US
dc.language.isoengen_US
dc.publisherIOP Publishingen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/MFAG/114F397en_US
dc.relation.isversionof10.1088/2053-1583/2/4/044002en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectTiSe2en_US
dc.subjectNanoribbonsen_US
dc.subjectTransition metal dichalcogenidesen_US
dc.titleElectronic and magnetic properties of 1T-TiSe2 nanoribbonsen_US
dc.typearticleen_US
dc.contributor.authorIDTR2199en_US
dc.contributor.iztechauthorÖzaydın, H. Duygu
dc.contributor.iztechauthorSenger, Ramazan Tuǧrul
dc.relation.journal2D Materialsen_US
dc.contributor.departmentİYTE, Fen Fakültesi, Fizik Bölümüen_US
dc.identifier.volume2en_US
dc.identifier.issue4en_US
dc.identifier.wosWOS:000368936600005
dc.identifier.scopusSCOPUS:2-s2.0-84953432402
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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