Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/5959
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dc.contributor.authorBacaksız, Cihan-
dc.contributor.authorŞahin, Hasan-
dc.contributor.authorÖzaydın, H. Duygu-
dc.contributor.authorHorzum, Şeyda-
dc.contributor.authorSenger, Ramazan Tugrul-
dc.contributor.authorPeeters, François M.-
dc.date.accessioned2017-07-19T08:44:32Z
dc.date.available2017-07-19T08:44:32Z
dc.date.issued2015-02-27
dc.identifier.citationBacaksız, C., Şahin, H., Özaydın, H.D., Horzum, Ş., Senger, R.T., and Peeters, F.M. (2015). Hexagonal AlN: Dimensional-crossover-driven band-gap transition. Physical Review B - Condensed Matter and Materials Physics, 91(8). doi:10.1103/PhysRevB.91.085430en_US
dc.identifier.issn1098-0121
dc.identifier.issn1098-0121-
dc.identifier.issn1550-235X-
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.91.085430
dc.identifier.urihttp://hdl.handle.net/11147/5959
dc.description.abstractMotivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas, Appl. Phys. Lett. 103, 251605 (2013)APPLAB0003-695110.1063/1.4851239], we investigate structural, electronic, and vibrational properties of bulk, bilayer, and monolayer structures of h-AlN by using first-principles calculations. We show that the hexagonal phase of the bulk h-AlN is a stable direct-band-gap semiconductor. The calculated phonon spectrum displays a rigid-layer shear mode at 274 cm-1 and an Eg mode at 703 cm-1, which are observable by Raman measurements. In addition, single-layer h-AlN is an indirect-band-gap semiconductor with a nonmagnetic ground state. For the bilayer structure, AA′-type stacking is found to be the most favorable one, and interlayer interaction is strong. While N-layered h-AlN is an indirect-band-gap semiconductor for N=1-9, we predict that thicker structures (N≥10) have a direct band gap at the Γ point. The number-of-layer-dependent band-gap transitions in h-AlN is interesting in that it is significantly different from the indirect-to-direct crossover obtained in the transition-metal dichalcogenides.en_US
dc.description.sponsorshipFlemish Science Foundation (FWO-Vl); Methusalem foundation of the Flemish government; TUBITAK Project (114F397); FWO Pegasus Long Marie Curie Fellowshipen_US
dc.language.isoenen_US
dc.publisherAmerican Physical Societyen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/MFAG/114F397en_US
dc.relation.ispartofPhysical Review B - Condensed Matter and Materials Physicsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectGrapheneen_US
dc.subjectHexagonal AlNen_US
dc.subjectPhonon spectrumen_US
dc.subjectSemiconductor surfacesen_US
dc.subjectAdsorbate structureen_US
dc.titleHexagonal AlN: Dimensional-crossover-driven band-gap transitionen_US
dc.typeArticleen_US
dc.authoridTR216960en_US
dc.authoridTR2199en_US
dc.institutionauthorBacaksız, Cihan-
dc.institutionauthorÖzaydın, H. Duygu-
dc.institutionauthorSenger, Ramazan Tugrul-
dc.departmentIzmir Institute of Technology. Physicsen_US
dc.identifier.volume91en_US
dc.identifier.issue8en_US
dc.identifier.wosWOS:000350319200020en_US
dc.identifier.scopus2-s2.0-84924084572en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1103/PhysRevB.91.085430-
dc.relation.doi10.1103/PhysRevB.91.085430en_US
dc.coverage.doi10.1103/PhysRevB.91.085430en_US
dc.identifier.scopusqualityQ1-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextWith Fulltext-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.dept04.04. Department of Photonics-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept04.05. Department of Pyhsics-
Appears in Collections:Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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