Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/6731
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dc.contributor.authorİyikanat, Fadıl-
dc.contributor.authorSarı, Emre-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2018-01-23T13:40:10Z
dc.date.available2018-01-23T13:40:10Z
dc.date.issued2017-10
dc.identifier.citationİyikanat, F., Sarı, E., and Şahin, H. (2017). Thinning CsPb2Br5 perovskite down to monolayers: Cs-dependent stability. Physical Review B, 96(15). doi:10.1103/PhysRevB.96.155442en_US
dc.identifier.issn2469-9950
dc.identifier.issn2469-9950-
dc.identifier.issn2469-9969-
dc.identifier.urihttp://doi.org/10.1103/PhysRevB.96.155442
dc.identifier.urihttp://hdl.handle.net/11147/6731
dc.description.abstractUsing first-principles density functional theory calculations, we systematically investigate the structural, electronic, and vibrational properties of bulk and potential single-layer structures of perovskitelike CsPb2Br5 crystal. It is found that while Cs atoms have no effect on the electronic structure, their presence is essential for the formation of stable CsPb2Br5 crystals. The calculated vibrational spectra of the crystal reveal that not only the bulk form but also the single-layer forms of CsPb2Br5 are dynamically stable. Predicted single-layer forms can exhibit either semiconducting or metallic character. Moreover, the modification of the structural, electronic, and magnetic properties of single-layer CsPb2Br5 upon formation of vacancy defects is investigated. It is found that the formation of Br vacancy (i) has the lowest formation energy, (ii) significantly changes the electronic structure, and (iii) leads to ferromagnetic ground state in the single-layer CsPb2Br5. However, the formation of Pb and Cs vacancies leads to p-type doping of the single-layer structure. Results reported herein reveal that the single-layer CsPb2Br5 crystal is a novel stable perovskite with enhanced functionality and a promising candidate for nanodevice applications.en_US
dc.description.sponsorshipTUBITAK (116C073); The Science Academy, Turkey under BAGEPen_US
dc.language.isoenen_US
dc.publisherAmerican Physical Societyen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/BIDEB/116C073en_US
dc.relation.ispartofPhysical Review Ben_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectPerovskitesen_US
dc.subjectMonolayersen_US
dc.subjectLight emitting diodesen_US
dc.titleThinning CsPb2Br5 perovskite down to monolayers: Cs-dependent stabilityen_US
dc.typeArticleen_US
dc.authoridTR202801en_US
dc.authoridTR247858en_US
dc.authoridTR216960en_US
dc.institutionauthorİyikanat, Fadıl-
dc.institutionauthorSarı, Emre-
dc.institutionauthorŞahin, Hasan-
dc.departmentIzmir Institute of Technology. Physics
dc.departmentIzmir Institute of Technology. Physicsen_US
dc.departmentIzmir Institute of Technology. Photonicsen_US
dc.identifier.volume96en_US
dc.identifier.issue15en_US
dc.identifier.wosWOS:000413276000002en_US
dc.identifier.scopus2-s2.0-85037711054en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1103/PhysRevB.96.155442-
dc.relation.doi10.1103/PhysRevB.96.155442en_US
dc.coverage.doi10.1103/PhysRevB.96.155442en_US
dc.identifier.scopusqualityQ1-
item.fulltextWith Fulltext-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
crisitem.author.dept04.04. Department of Photonics-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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