Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7625
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dc.contributor.authorKandemir, Ali-
dc.contributor.authorPeeters, François M.-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2020-01-27T06:48:09Z-
dc.date.available2020-01-27T06:48:09Z-
dc.date.issued2018-08en_US
dc.identifier.citationKandemir, A., Peeters, F. M., and Şahin, H. (2018). Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via vibrational spectrum. Journal of Chemical Physics, 149(8). doi:10.1063/1.5043207en_US
dc.identifier.issn0021-9606-
dc.identifier.issn1089-7690-
dc.identifier.urihttps://doi.org/10.1063/1.5043207-
dc.identifier.urihttps://hdl.handle.net/11147/7625-
dc.description.abstractUsing first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants).en_US
dc.description.sponsorshipTUBITAK (117F095); FLAG-ERA-TRANS2DTMDen_US
dc.language.isoenen_US
dc.publisherAmerican Institute of Physicsen_US
dc.relation.ispartofJournal of Chemical Physicsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectMolybdenum compoundsen_US
dc.subjectRaman measurementsen_US
dc.subjectJanus crystalen_US
dc.subjectVibrational propertiesen_US
dc.subjectCrystal atomic structureen_US
dc.titleMonitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via vibrational spectrumen_US
dc.typeArticleen_US
dc.authorid0000-0002-6189-6707en_US
dc.institutionauthorŞahin, Hasan-
dc.institutionauthorKandemir, Ali-
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.departmentİzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume149en_US
dc.identifier.issue8en_US
dc.identifier.wosWOS:000444035800044en_US
dc.identifier.scopus2-s2.0-85052743415en_US
dc.relation.tubitakinfo:eu-repo/grantAgreement/TUBITAK/MFAG/117F095-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1063/1.5043207-
dc.identifier.pmid30193504en_US
dc.relation.doi10.1063/1.5043207en_US
dc.coverage.doi10.1063/1.5043207en_US
dc.identifier.wosqualityQ2-
dc.identifier.scopusqualityQ1-
item.openairetypeArticle-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.cerifentitytypePublications-
item.grantfulltextopen-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Photonics / Fotonik
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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