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dc.contributor.authorBacaksız, Cihan
dc.contributor.authorDominguez, A.
dc.contributor.authorRubio, A.
dc.contributor.authorSenger, Ramazan Tuğrul
dc.contributor.authorŞahin, Hasan
dc.date.accessioned2017-10-12T07:30:08Z
dc.date.available2017-10-12T07:30:08Z
dc.date.issued2017-02
dc.identifier.citationBacaksız, C., Dominguez, A., Rubio, A., Senger, R. T., and Şahin, H. (2017). h-AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics. Physical Review B, 95(7). doi:10.1103/PhysRevB.95.075423en_US
dc.identifier.issn2469-9950
dc.identifier.urihttp://doi.org/10.1103/PhysRevB.95.075423
dc.identifier.urihttp://hdl.handle.net/11147/6338
dc.description.abstractMotivated by recent studies that reported the successful synthesis of monolayer Mg(OH)2 [Suslu, Sci. Rep. 6, 20525 (2016)2045-232210.1038/srep20525] and hexagonal (h-)AlN [Tsipas, Appl. Phys. Lett. 103, 251605 (2013)APPLAB0003-695110.1063/1.4851239], we investigate structural, electronic, and optical properties of vertically stacked h-AlN and Mg(OH)2, through ab initio density-functional theory (DFT), many-body quasiparticle calculations within the GW approximation and the Bethe-Salpeter equation (BSE). It is obtained that the bilayer heterostructure prefers the AB′ stacking having direct band gap at the Γ with Type-II band alignment in which the valance band maximum and conduction band minimum originate from different layer. Regarding the optical properties, the imaginary part of the dielectric function of the individual layers and heterobilayer are investigated. The heterobilayer possesses excitonic peaks, which appear only after the construction of the heterobilayer. The lowest three exciton peaks are analyzed in detail by means of band decomposed charge density and the oscillator strength. Furthermore, the wave function calculation shows that the first peak of the heterobilayer originates from spatially indirect exciton where the electron and hole localized at h-AlN and Mg(OH)2, respectively, which is important for the light harvesting applications.en_US
dc.description.sponsorshipTUBITAK (114F397); The Science Academy, Turkey; Scientific and Technological Research Council of Turkey (116C073); European Research Council (ERC-2015-AdG-694097); Grupos Consolidados (IT578-13); AFOSR (FA2386-15-1-0006 AOARD 144088 H2020-NMP-2014); MOSTOPHOS (646259); COST Action (MP1306 FIS2013-46159-C3-1-P)en_US
dc.language.isoengen_US
dc.publisherAmerican Physical Societyen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/MFAG/114F397en_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/BIDEB/116C073en_US
dc.relation.isversionof10.1103/PhysRevB.95.075423en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectBethe-Salpeter equationen_US
dc.subjectHeterostructuresen_US
dc.subjectDensity functional theoryen_US
dc.subjectMonolayeren_US
dc.titleh-AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristicsen_US
dc.typearticleen_US
dc.contributor.authorIDTR2199en_US
dc.contributor.authorIDTR216960en_US
dc.contributor.institutionauthorBacaksız, Cihan
dc.contributor.institutionauthorSenger, Ramazan Tuğrul
dc.contributor.institutionauthorŞahin, Hasan
dc.relation.journalPhysical Review Ben_US
dc.contributor.departmentIzmir Institute of Technology. Physicsen_US
dc.contributor.departmentIzmir Institute of Technology. Photonicsen_US
dc.identifier.volume95en_US
dc.identifier.issue7en_US
dc.identifier.wosWOS:000394658900011
dc.identifier.scopusSCOPUS:2-s2.0-85014526444
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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