Lead-Free Na2ZrTeO6 double perovskite: a promising candidate for high-temperature and optoelectronic applications

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dc.contributor.authorDeligöz, Engin
dc.contributor.authorRached, D.
dc.contributor.authorÖzışık, H.
dc.contributor.authorCaid, M.
dc.contributor.authorRached, Y.
dc.date.accessioned2025-09-18T10:33:32Z
dc.date.available2025-09-18T10:33:32Z
dc.date.issued2025
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractThe double perovskite class of materials is highly significant due to its optoelectronic properties and structural stability, making it ideal for applications in electronics, photovoltaics, and catalysis. We present a first principles study of the elastic, anisotropic mechanical, electronic, and optical properties of the newly synthesized double perovskite Na2ZrTeO6 compound. The calculated elastic constants confirm the mechanical stability of the compound. Na2ZrTeO6 exhibits high mechanical durability, a wide band gap, and significant anisotropic mechanical properties. The observed anisotropy suggests that Na2ZrTeO6 may exhibit direction-dependent mechanical and electronic behavior, making it a versatile material for advanced technological applications. The high Debye and melting temperature indicate that Na2ZrTeO6 may be very suitable for high-temperature processes, refractory materials, and high-temperature equipment. This compound is a semiconductor with a wide band gap and the electrons are mobile carriers because they have smaller effective masses. The optical properties, including the real and imaginary parts of the complex dielectric function, energy loss, real and imaginary parts of the refractive index, and absorption coefficient, are analyzed for photon energies up to 20 eV to evaluate the optical response.
dc.identifier.doi10.1002/adts.202401421
dc.identifier.issn2-s2.0-85219539014
dc.identifier.issue6
dc.identifier.scopus2-s2.0-85219539014
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1002/adts.202401421
dc.identifier.urihttps://hdl.handle.net/20.500.12451/14466
dc.identifier.volume8
dc.indekslendigikaynakScopus
dc.institutionauthorDeligöz, Engin
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.relation.ispartofAdvanced Theory and Simulations
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectDouble Perovskite
dc.subjectMechanical Properties
dc.subjectNa2ZrTeO6
dc.subjectOptoelectronic Properties
dc.titleLead-Free Na2ZrTeO6 double perovskite: a promising candidate for high-temperature and optoelectronic applications
dc.typeArticle

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