Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/12194
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dc.contributor.authorYağmurcukardeş, Mehmeten_US
dc.contributor.authorSözen, Yiğiten_US
dc.contributor.authorBaşkurt, Mehmeten_US
dc.contributor.authorPeeters, François M.en_US
dc.contributor.authorŞahin, Hasanen_US
dc.date.accessioned2022-07-25T13:56:32Z-
dc.date.available2022-07-25T13:56:32Z-
dc.date.issued2022-01-21-
dc.identifier.urihttps://doi.org/10.1039/d1nr06534c-
dc.identifier.urihttps://hdl.handle.net/11147/12194-
dc.descriptionComputational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure) and Flemish Supercomputer Center (VSC). M. Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl).en_US
dc.description.abstractThe interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G0W0 approximation, it is shown that different interfaces can be distinguished from each other by means of the optical absorption spectra as a consequence of the band alignments. Additionally, the low-and high-frequency regimes of the Raman spectra are also different for each interface type. The alignment of the individual dipoles, which is interface-dependent, either weakens or strengthens the net dipole of the heterobilayers and results in tunable piezoelectric coefficients. The results indicate that the possible heterobilayers of b-GeO/MoSO asymmetric structures possess various electronic, optical, and piezoelectric properties arising from the different interface formations and can be distinguished by means of various spectroscopic techniques.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.ispartofNanoscaleen_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subjectCalculationsen_US
dc.subjectEnergy gapen_US
dc.subjectLight absorptionen_US
dc.subjectGermanium compoundsen_US
dc.titleInterface-dependent phononic and optical properties of GeO/MoSO heterostructuresen_US
dc.typeArticleen_US
dc.authorid0000-0002-1416-7990en_US
dc.authorid0000-0002-1058-2572en_US
dc.authorid0000-0001-7181-6814en_US
dc.authorid0000-0002-6189-6707en_US
dc.institutionauthorYağmurcukardeş, Mehmeten_US
dc.institutionauthorSözen, Yiğiten_US
dc.institutionauthorBaşkurt, Mehmeten_US
dc.institutionauthorŞahin, Hasanen_US
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.identifier.wosWOS:000738899600001en_US
dc.identifier.scopus2-s2.0-85123586356en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1039/d1nr06534c-
dc.identifier.pmid34985489-
dc.contributor.affiliation01. Izmir Institute of Technologyen_US
dc.contributor.affiliation01. Izmir Institute of Technologyen_US
dc.contributor.affiliation01. Izmir Institute of Technologyen_US
dc.contributor.affiliationUniversiteit Antwerpenen_US
dc.contributor.affiliation01. Izmir Institute of Technologyen_US
dc.relation.issn2040-3364en_US
dc.description.volume14en_US
dc.description.issue3en_US
dc.description.startpage865en_US
dc.description.endpage874en_US
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityQ1-
item.languageiso639-1en-
item.grantfulltextembargo_20250701-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.fulltextWith Fulltext-
item.openairetypeArticle-
crisitem.author.dept04.04. Department of Photonics-
crisitem.author.dept01. Izmir Institute of Technology-
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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