Thermoelectric, optoelectronic and magnetic properties of BaLn2ZnO5 (Ln = Eu, Pr, Sm) insulators by GGA/mBJ plus U exchange-correlation approaches

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dc.contributor.authorAliabad, H. A. Rahnamaye
dc.contributor.authorVahidi, H.
dc.contributor.authorSamsami, M.
dc.contributor.authorAhmad, Iftikhar
dc.contributor.authorBalci, Gulten Kavak
dc.date.accessioned2024-04-24T16:15:40Z
dc.date.available2024-04-24T16:15:40Z
dc.date.issued2022
dc.departmentDicle Üniversitesien_US
dc.description.abstractOptoelectronic, magnetic and thermoelectric properties of BaLn(2)ZnO(5) (Ln = Eu, Pr, Sm) insulators are investigated by the full-potential linearized augmented-plane wave (FP-LAPW) method. The electronic results show that the BaLn(2)ZnO(5 )compounds are wide-band-gap insulators and the optical threshold energies are suitable for the ultraviolet detectors and the LEDs. There is an inverse relation between the static dielectric function and the band gap value. The negative values of dielectric function with the high reflectivity are observed in the energy range of 10-12 eV. We find that the magnetic moment at the Ln sites decreases with a decrease in the number of electrons in the f state and the integer value of the total magnetic moment per unit cell confirms the non-metallic nature of BaLn(2)ZnO(5 )compounds. The thermoelectric results by GGA + U show that p-type BaLn(2)ZnO(5)and BaLn(2)ZnO(5 )compounds by 1 x 1022 cm(-3) doping can be used in thermoelectric devices.en_US
dc.identifier.doi10.1016/j.mseb.2022.115772
dc.identifier.issn0921-5107
dc.identifier.issn1873-4944
dc.identifier.scopus2-s2.0-85132785388
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.mseb.2022.115772
dc.identifier.urihttps://hdl.handle.net/11468/15885
dc.identifier.volume283en_US
dc.identifier.wosWOS:000814743500001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofMaterials Science and Engineering B-Advanced Functional Solid-State Materials
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectThermoelectricen_US
dc.subjectOptoelectronicen_US
dc.subjectMagneticen_US
dc.subjectBaln(2)Zno(5) Insulatorsen_US
dc.titleThermoelectric, optoelectronic and magnetic properties of BaLn2ZnO5 (Ln = Eu, Pr, Sm) insulators by GGA/mBJ plus U exchange-correlation approachesen_US
dc.titleThermoelectric, optoelectronic and magnetic properties of BaLn2ZnO5 (Ln = Eu, Pr, Sm) insulators by GGA/mBJ plus U exchange-correlation approaches
dc.typeArticleen_US

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