Optical Properties of the Narrow-Band Ferroelectrics: First Principle Calculations

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dc.contributor.authorKoc, Husnu
dc.contributor.authorSimsek, Sevket
dc.contributor.authorMamedov, Amirullah M.
dc.contributor.authorOzbay, Ekmel
dc.date.accessioned2024-12-24T19:28:01Z
dc.date.available2024-12-24T19:28:01Z
dc.date.issued2015
dc.departmentSiirt Üniversitesi
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 ev and 0.359 eV. 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.
dc.description.sponsorshipDPT-HAMIT; DPT-FOTON; TUBITAK [113E331, 109A015, 109E301]; Turkish Academy of Sciences; [NATO-SET-193]
dc.description.sponsorshipThis work is supported by the projects DPT-HAMIT, DPT-FOTON, NATO-SET-193 and TUBITAK under Project Nos. 113E331, 109A015, 109E301. One of the authors (Ekmel Ozbay) also acknowledges partial support from the Turkish Academy of Sciences.
dc.identifier.doi10.1080/00150193.2015.1058672
dc.identifier.endpage52
dc.identifier.issn0015-0193
dc.identifier.issn1563-5112
dc.identifier.issue1
dc.identifier.scopus2-s2.0-84946039746
dc.identifier.scopusqualityQ4
dc.identifier.startpage43
dc.identifier.urihttps://doi.org/10.1080/00150193.2015.1058672
dc.identifier.urihttps://hdl.handle.net/20.500.12604/6886
dc.identifier.volume483
dc.identifier.wosWOS:000363683200005
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofFerroelectrics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241222
dc.subjectab initio calculation
dc.subjectelectronic structure
dc.subjectoptical properties
dc.titleOptical Properties of the Narrow-Band Ferroelectrics: First Principle Calculations
dc.typeArticle

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