Electron spectroscopy and the electronic structure of KNbO3: First principle calculations

buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828en_US
dc.citation.epage105en_US
dc.citation.issueNumber1en_US
dc.citation.spage99en_US
dc.citation.volumeNumber461en_US
dc.contributor.authorSimsek S.en_US
dc.contributor.authorKoc, H.en_US
dc.contributor.authorTrepakov, V. A.en_US
dc.contributor.authorMamedov, A. M.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.contributor.bilkentauthorÖzbay, Ekmel
dc.date.accessioned2016-02-08T12:25:37Z
dc.date.available2016-02-08T12:25:37Z
dc.date.issued2014en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.description.abstractThe electronic structures of KNbO3were calculated within the density functional theory, and their evolution was analyzed as the crystal-field symmetry changes from cubic to rhombohedral via tetragonal phase. We carried out electron-energy loss spectroscopy experiments by using synchrotron radiation and compared the results with the theoretical spectra calculated within Density Functional Theory. The dominant role of the NbO6 octahedra in the formation of the energy spectra of KNbO3compound was demonstrated. The anomalous behavior of plasmons in ferroelectrics was exhibited by the function representing the characteristic energy loss in the region of phase transition. © 2014 Copyright Taylor & Francis Group, LLC.en_US
dc.identifier.doi10.1080/00150193.2014.889998en_US
dc.identifier.issn0015-0193
dc.identifier.urihttp://hdl.handle.net/11693/28630
dc.language.isoEnglishen_US
dc.publisherTaylor & Francis Onlineen_US
dc.relation.isversionofhttp://dx.doi.org/10.1080/00150193.2014.889998en_US
dc.source.titleFerroelectricsen_US
dc.subjectDensity functional theoryen_US
dc.subjectElectron spectroscopyen_US
dc.subjectEnergy dissipationen_US
dc.subjectNiobium oxideen_US
dc.subjectPlasmonsen_US
dc.subjectAnomalous behavioren_US
dc.subjectCharacteristic energyen_US
dc.subjectElectron energy lossen_US
dc.subjectFirst principle calculationsen_US
dc.subjectSymmetry changesen_US
dc.subjectTetragonal phaseen_US
dc.subjectTheoretical spectraen_US
dc.subjectElectronic structureen_US
dc.titleElectron spectroscopy and the electronic structure of KNbO3: First principle calculationsen_US
dc.typeArticleen_US
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