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https://hdl.handle.net/11147/12194
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DC Field | Value | Language |
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dc.contributor.author | Yağmurcukardeş, Mehmet | en_US |
dc.contributor.author | Sözen, Yiğit | en_US |
dc.contributor.author | Başkurt, Mehmet | en_US |
dc.contributor.author | Peeters, François M. | en_US |
dc.contributor.author | Şahin, Hasan | en_US |
dc.date.accessioned | 2022-07-25T13:56:32Z | - |
dc.date.available | 2022-07-25T13:56:32Z | - |
dc.date.issued | 2022-01-21 | - |
dc.identifier.uri | https://doi.org/10.1039/d1nr06534c | - |
dc.identifier.uri | https://hdl.handle.net/11147/12194 | - |
dc.description | Computational 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.abstract | The 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.iso | en | en_US |
dc.publisher | Royal Society of Chemistry | en_US |
dc.relation.ispartof | Nanoscale | en_US |
dc.rights | info:eu-repo/semantics/embargoedAccess | en_US |
dc.subject | Calculations | en_US |
dc.subject | Energy gap | en_US |
dc.subject | Light absorption | en_US |
dc.subject | Germanium compounds | en_US |
dc.title | Interface-dependent phononic and optical properties of GeO/MoSO heterostructures | en_US |
dc.type | Article | en_US |
dc.authorid | 0000-0002-1416-7990 | en_US |
dc.authorid | 0000-0002-1058-2572 | en_US |
dc.authorid | 0000-0001-7181-6814 | en_US |
dc.authorid | 0000-0002-6189-6707 | en_US |
dc.institutionauthor | Yağmurcukardeş, Mehmet | en_US |
dc.institutionauthor | Sözen, Yiğit | en_US |
dc.institutionauthor | Başkurt, Mehmet | en_US |
dc.institutionauthor | Şahin, Hasan | en_US |
dc.department | İzmir Institute of Technology. Photonics | en_US |
dc.identifier.wos | WOS:000738899600001 | en_US |
dc.identifier.scopus | 2-s2.0-85123586356 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.identifier.doi | 10.1039/d1nr06534c | - |
dc.identifier.pmid | 34985489 | - |
dc.contributor.affiliation | 01. Izmir Institute of Technology | en_US |
dc.contributor.affiliation | 01. Izmir Institute of Technology | en_US |
dc.contributor.affiliation | 01. Izmir Institute of Technology | en_US |
dc.contributor.affiliation | Universiteit Antwerpen | en_US |
dc.contributor.affiliation | 01. Izmir Institute of Technology | en_US |
dc.relation.issn | 2040-3364 | en_US |
dc.description.volume | 14 | en_US |
dc.description.issue | 3 | en_US |
dc.description.startpage | 865 | en_US |
dc.description.endpage | 874 | en_US |
dc.identifier.wosquality | Q1 | - |
dc.identifier.scopusquality | Q1 | - |
item.languageiso639-1 | en | - |
item.grantfulltext | embargo_20250701 | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
item.fulltext | With Fulltext | - |
item.openairetype | Article | - |
crisitem.author.dept | 04.04. Department of Photonics | - |
crisitem.author.dept | 01. Izmir Institute of Technology | - |
crisitem.author.dept | 04.04. 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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d1nr06534c.pdf Until 2025-07-01 | Article | 2.47 MB | Adobe PDF | View/Open Request a copy |
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