Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/8863
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dc.contributor.authorSözen, Yiğit-
dc.contributor.authorEren, İsmail-
dc.contributor.authorÖzen, Sercan-
dc.contributor.authorYağmurcukardeş, Mehmet-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2020-07-18T08:34:04Z-
dc.date.available2020-07-18T08:34:04Z-
dc.date.issued2020-
dc.identifier.issn0169-4332-
dc.identifier.issn1873-5584-
dc.identifier.urihttps://doi.org/10.1016/j.apsusc.2019.144218-
dc.identifier.urihttps://hdl.handle.net/11147/8863-
dc.description.abstractIn this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofApplied Surface Scienceen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectSurface modificationen_US
dc.subjectJanus single-layersen_US
dc.subjectDFT calculationsen_US
dc.subjectVibrational propertiesen_US
dc.subjectElastic propertiesen_US
dc.titleInteraction of Ge with single layer GaAs: From Ge-island nucleation to formation of novel stable monolayersen_US
dc.typeArticleen_US
dc.institutionauthorSözen, Yiğit-
dc.institutionauthorÖzen, Sercan-
dc.institutionauthorŞahin, Hasan-
dc.institutionauthorEren, İsmail-
dc.departmentİzmir Institute of Technology. Physicsen_US
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.identifier.volume505en_US
dc.identifier.wosWOS:000510846500026en_US
dc.identifier.scopus2-s2.0-85075484851en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1016/j.apsusc.2019.144218-
dc.relation.doi10.1016/j.apsusc.2019.144218en_US
dc.coverage.doi10.1016/j.apsusc.2019.144218en_US
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityN/A-
item.languageiso639-1en-
item.fulltextWith Fulltext-
item.grantfulltextopen-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.openairetypeArticle-
crisitem.author.dept01. Izmir Institute of Technology-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept04.04. Department of Photonics-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Photonics / Fotonik
Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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