Optical properties of the narrow-band ferroelectrics: first principle calculations

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buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage52en_US
dc.citation.issueNumber1en_US
dc.citation.spage43en_US
dc.citation.volumeNumber483en_US
dc.contributor.authorKoc, H.en_US
dc.contributor.authorSimsek S.en_US
dc.contributor.authorMamedov, A. M.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2016-02-08T10:18:23Z
dc.date.available2016-02-08T10:18:23Z
dc.date.issued2015en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.description.abstractBased on density functional theory, we have studied the electronic, and optical properties of narrow-band ferroelectric compounds - (Ge,Sn) Te. Generalized gradient approximation has been used for modeling exchange-correlation effects. The lattice parameters of the considered compounds have been calculated. The calculated electronic band structure shows that GeTe and SnTe compounds have a direct forbidden band gap of 0.742 and 0.359. The real and imaginary parts of dielectric functions and therefore, the optical functions such as energy-loss function, as well as the effective number of valance electrons and the effective optical dielectric constant are all calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data. © 2015 Taylor & Francis Group, LLC.en_US
dc.identifier.doi10.1080/00150193.2015.1058672en_US
dc.identifier.eissn1563-5112
dc.identifier.issn0015-0193
dc.identifier.urihttp://hdl.handle.net/11693/23736
dc.language.isoEnglishen_US
dc.publisherTaylor & Francis Inc.en_US
dc.relation.isversionofhttp://dx.doi.org/10.1080/00150193.2015.1058672en_US
dc.source.titleFerroelectricsen_US
dc.subjectAB initio calculationen_US
dc.subjectElectronic structureen_US
dc.subjectCalculationsen_US
dc.subjectDensity functional theoryen_US
dc.subjectEnergy dissipationen_US
dc.subjectFerroelectric materialsen_US
dc.subjectGermaniumen_US
dc.subjectDielectric functionsen_US
dc.subjectElectronic band structureen_US
dc.subjectFerroelectric compoundsen_US
dc.subjectFirst principle calculationsen_US
dc.subjectGeneralized gradient approximationsen_US
dc.subjectOptical dielectric constanten_US
dc.subjectStructural estimationen_US
dc.subjectOptical propertiesen_US
dc.titleOptical properties of the narrow-band ferroelectrics: first principle calculationsen_US
dc.typeArticleen_US

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