Stable monolayer of the RuO2 structure by the Peierls distortion

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buir.contributor.authorErsan, Fatih
dc.citation.epage385en_US
dc.citation.issueNumber3en_US
dc.citation.spage376en_US
dc.citation.volumeNumber99en_US
dc.contributor.authorErsan, Fatihen_US
dc.contributor.authorÖzaydın, H. D.en_US
dc.contributor.authorÜzengi Aktürk, O.en_US
dc.date.accessioned2020-02-21T10:33:34Z
dc.date.available2020-02-21T10:33:34Z
dc.date.issued2019-10-29
dc.departmentDepartment of Physicsen_US
dc.description.abstractIn this paper, we presented a stable two-dimensional ruthenium dioxide monolayer by using first-principles calculations within density functional theory. In contrast to ordinary hexagonal and octahedral structures of metal dichalcogenides, RuO2 is stable in the distorted phase of the structure as a result of occurring charge density wave. A comprehensive analysis including the calculation of vibration frequencies, mechanical properties, and ab initio molecular dynamics at 300 K affirms that RuO2 monolayer structure is stable dynamically and thermally and convenient for applications at room temperature. We also investigated the electronic and optical properties of RuO2 and it is found that RuO2 has of 0.74 eV band gap which is in the infrared region and very suitable for infrared detectors.en_US
dc.description.provenanceSubmitted by Evrim Ergin (eergin@bilkent.edu.tr) on 2020-02-21T10:33:34Z No. of bitstreams: 1 Stable_monolayer_of_the_RuO2_structure_by_the_Peierls_distortion.pdf: 1977119 bytes, checksum: 92c0035a22372e6c762a37737f506b2f (MD5)en
dc.description.provenanceMade available in DSpace on 2020-02-21T10:33:34Z (GMT). No. of bitstreams: 1 Stable_monolayer_of_the_RuO2_structure_by_the_Peierls_distortion.pdf: 1977119 bytes, checksum: 92c0035a22372e6c762a37737f506b2f (MD5) Previous issue date: 2019-10-29en
dc.identifier.doi10.1080/14786435.2018.1538576en_US
dc.identifier.eissn1478-6443
dc.identifier.issn1478-6435
dc.identifier.urihttp://hdl.handle.net/11693/53469
dc.language.isoEnglishen_US
dc.publisherTaylor & Francisen_US
dc.relation.isversionofhttps://dx.doi.org/10.1080/14786435.2018.1538576en_US
dc.source.titlePhilosophical Magazineen_US
dc.subjectDensity functional theoryen_US
dc.subjectMetal dichalcogenidesen_US
dc.subjectTwo-dimensional materialsen_US
dc.subjectCharge density waveen_US
dc.subjectPeierls distortionen_US
dc.titleStable monolayer of the RuO2 structure by the Peierls distortionen_US
dc.typeArticleen_US

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