Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7561
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dc.contributor.authorKandemir, Ali-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2020-01-06T13:08:48Z
dc.date.available2020-01-06T13:08:48Z
dc.date.issued2018-04en_US
dc.identifier.citationKandemir, A., and Şahin, H. (2018). Janus single layers of In2SSe: A first-principles study. Physical Review B, 97(15). doi:10.1103/PhysRevB.97.155410en_US
dc.identifier.issn2469-9950
dc.identifier.issn2469-9950-
dc.identifier.issn2469-9969-
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.97.155410
dc.identifier.urihttps://hdl.handle.net/11147/7561
dc.description.abstractBy performing first-principles calculations, we propose a stable direct band gap semiconductor Janus single-layer structure, In2SSe. The binary analogs of the Janus structure, InS and InSe single layers are reviewed to evince the structural and electronic relation with In2SSe. The structural optimization calculations reveal that a Janus In2SSe single layer has hexagonal geometry like the InS and InSe single layers, which are also its structural analogs. The Janus single layer is dynamically stable, as indicated by the phonon spectrum. The electronic band diagram of the Janus structure shows that an In2SSe single layer is a direct band gap semiconductor, in contrast to its analogs, InS and InSe single layers, which are indirect band gap semiconductors. Nevertheless, it is found that the strain effect on electronic properties of the InS and InSe single layers designates the electronic structure of the Janus single layer. A rough model for the construction of the electronic band diagram of the Janus structures is discussed, and it is indicated that the difference in work functions of chalcogenide sides in the Janus structure determines the construction of the electronic structure. It is found that the Janus structure is a robust direct gap semiconductor under tolerable strain; for that reason, the Janus In2SSe single layer is a candidate for optoelectronic nanodevice applications.en_US
dc.description.sponsorshipTUBITAK (117F095)en_US
dc.language.isoenen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.ispartofPhysical Review Ben_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectCalculationsen_US
dc.subjectJanus single layersen_US
dc.subjectHexagonal geometryen_US
dc.subjectEnergy gapen_US
dc.subjectSelenium compoundsen_US
dc.titleJanus single layers of In2SSe: A first-principles studyen_US
dc.typeArticleen_US
dc.authorid0000-0002-6189-6707en_US
dc.institutionauthorKandemir, Ali-
dc.institutionauthorŞahin, Hasan-
dc.departmentİzmir Institute of Technology. Materials Science and Engineeringen_US
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.identifier.volume97en_US
dc.identifier.issue15en_US
dc.identifier.wosWOS:000429635700002en_US
dc.identifier.scopus2-s2.0-85045459963en_US
dc.relation.tubitakinfo:eu-repo/grantAgreement/TUBITAK/MFAG/117F095
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1103/PhysRevB.97.155410-
dc.relation.doi10.1103/PhysRevB.97.155410en_US
dc.coverage.doi10.1103/PhysRevB.97.155410en_US
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityQ1-
dc.identifier.wosqualityttpTop10%en_US
item.fulltextWith Fulltext-
item.cerifentitytypePublications-
item.openairetypeArticle-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği
Photonics / Fotonik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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