Electronic structure study of tetragonal copper iron selenide CuFeSe2

Basit Öğe Kaydı
dc.contributor.authorOzkendir, Osman murat
dc.date.accessioned2025-03-17T12:27:46Z
dc.date.available2025-03-17T12:27:46Z
dc.date.issued2023
dc.departmentTarsus Üniversitesi
dc.description.abstractElectronic structure properties of ternary Heusler type CuFeSe2 were investigated by density functional theory (DFT) ab-initio calculations. To achieve a better sight in common conditions, calculations were also tested under varying temperatures. Electronic band calculations revealed a narrow semiconductor band configuration contrary to expectations, like the similar crystal structures reported in the literature. The band structure calculation results were confirmed by x-ray absorption (fine structure) spectroscopy (XA(F)S) calculations, which are performed at an ab-initio code FEFF 8.20. A stable material that resists heat change in its surroundings has been analyzed through absorption spectroscopy calculations, making it a heat-proof material that can be used at room temperature. Besides, the determined decay in scattering intensity data has given clues about the low thermoelectric properties applicable around room temperatures (similar to 300 K). The results of the study supported and agreed with previous studies in the literature.
dc.description.sponsorship2219 program of the scientific and technological research council of Trkiye (TUBITAK)
dc.description.sponsorshipThis study is supported by the 2219 program of the scientific and technological research council of Tuerkiye (TUBITAK) .
dc.identifier.endpage458
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue9-10
dc.identifier.scopus2-s2.0-85180156531
dc.identifier.scopusqualityQ4
dc.identifier.startpage453
dc.identifier.urihttps://hdl.handle.net/20.500.13099/2430
dc.identifier.volume25
dc.identifier.wosWOS:001105644000008
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorOzkendir, Osman murat
dc.language.isoen
dc.publisherNatl Inst Optoelectronics
dc.relation.ispartofJournal of Optoelectronics and Advanced Materials
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250316
dc.subjectTransition metals
dc.subjectAbsorption spectroscopy
dc.subjectSelenides
dc.subjectThermoelectric materials
dc.titleElectronic structure study of tetragonal copper iron selenide CuFeSe2
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu