Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/8805
Full metadata record
DC FieldValueLanguage
dc.contributor.authorÖzen, Sercan-
dc.contributor.authorİyikanat, Fadıl-
dc.contributor.authorÖzcan, Mehmet-
dc.contributor.authorTekneci, Gülsüm Efsun-
dc.contributor.authorEren, İsmail-
dc.contributor.authorSözen, Yiğit-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2020-07-18T08:31:26Z-
dc.date.available2020-07-18T08:31:26Z-
dc.date.issued2020-
dc.identifier.issn2352-2143-
dc.identifier.urihttps://doi.org/10.1016/j.cocom.2019.e00453-
dc.identifier.urihttps://hdl.handle.net/11147/8805-
dc.description.abstractCesium lead halide perovskites have been subject to intense investigation, mostly because of their potential to be used in optoelectronic device applications. However, regarding the need for nanoscale materials in forthcoming nanotechnology applications, understanding of how the characteristic properties of these perovskite crystals are modified through dimensional crossover is essential. In this study, thickness-dependence of the structural, electronic and vibrational properties of orthorhombic CsPbI3, which is one of the most stable phase at room temperature, is investigated by means of state-of-the-art first-principles calculations. Our results show that (i) bilayers and monolayers of CsPbI3 can be stabilized in orthorhombic crystal symmetry, (ii) among; the possible ultra-thin perovskites only structures with CsI-terminated surface are dynamically stable (iii) electronic band gap increases with decrease in perovskite thickness due to quantum size effect and (iv) reflectivity and transmissivity of the orthorhombic CsPbI3 can be tuned by varying the thickness that modifies the electron confinement. (c) 2019 Elsevier B.V. All rights reserved.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofComputational Condensed Matteren_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectDensity functional theoryen_US
dc.subjectPerovskitesen_US
dc.subjectThickness dependencyen_US
dc.subjectElectronic band structureen_US
dc.subjectPhononsen_US
dc.subjectOptical propertiesen_US
dc.titleOrthorhombic CsPbI3 perovskites: Thickness-dependent structural, optical and vibrational propertiesen_US
dc.typeArticleen_US
dc.institutionauthorÖzen, Sercan-
dc.institutionauthorİyikanat, Fadıl-
dc.institutionauthorÖzcan, Mehmet-
dc.institutionauthorTekneci, Gülsüm Efsun-
dc.institutionauthorEren, İsmail-
dc.institutionauthorSözen, Yiğit-
dc.institutionauthorŞahin, Hasan-
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.departmentİzmir Institute of Technology. Physicsen_US
dc.departmentİzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume23en_US
dc.identifier.wosWOS:000533853800001en_US
dc.identifier.scopus2-s2.0-85078060376en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1016/j.cocom.2019.e00453-
dc.relation.doi10.1016/j.cocom.2019.e00453en_US
dc.coverage.doi10.1016/j.cocom.2019.e00453en_US
dc.identifier.scopusqualityQ2-
item.languageiso639-1en-
item.fulltextWith Fulltext-
item.grantfulltextopen-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.openairetypeArticle-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept01. Izmir Institute of Technology-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Files in This Item:
File SizeFormat 
1-s2.0-S2352214319302990-main.pdf2.39 MBAdobe PDFView/Open
Show simple item record



CORE Recommender

SCOPUSTM   
Citations

10
checked on Jul 12, 2024

WEB OF SCIENCETM
Citations

11
checked on Jul 13, 2024

Page view(s)

190
checked on Jul 15, 2024

Download(s)

168
checked on Jul 15, 2024

Google ScholarTM

Check




Altmetric


Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.