Shielding efficiency of iron doped tincal: a first-principles study

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dc.contributor.authorDuru, İzzet Paruğ
dc.contributor.authorÖzuğurlu, Ersin
dc.contributor.authorArda, Lütfi
dc.date.accessioned2026-06-04T05:38:41Z
dc.date.available2026-06-04T05:38:41Z
dc.date.issued2026
dc.departmentMeslek Yüksekokulu, Gedik Meslek Yüksekokulu, Tıbbi Görüntüleme Teknikleri Programı
dc.description.abstractThe idea of shielding has been popular for decades as a way to reduce unwanted radiation in a variety of applications, especially in the areas of security and health. Fe-doped tincal nanoparticles were examined in this article as a possible option for this use. Density functional theory (DFT) was used to calculate the dielectric function of Fe-doped tincal and shielding efficiency (SE). Fe-doped tincal structures were subjected to geometry optimization through the substitution of Fe at particular boron sites. After determining the formation energy to evaluate stability, the optical characteristics were calculated. The process was repeated for collinearly ordered ferromagnetic (FM) and antiferromagnetic (AFM) states. Considered structures obeyed the AFM state. On the other hand, low conductivity is indicated by the Fermi level electronic density of states (DOS). While bare tincal has a large indirect band gap (∼5eV), the band gap was almost nonexistent in both doped examples. The electromagnetic shielding efficiency ratings were determined to be extremely poor for all setups. Except for the low-frequency band, no discernible variations in SE were found between various configurations and photon polarizations. Significant variations were found for interactions with low-energy photons, especially in the ultraviolet spectrum.
dc.identifier.doi10.1016/j.physb.2026.418810
dc.identifier.issn09214526
dc.identifier.scopus2-s2.0-105039670766
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.physb.2026.418810
dc.identifier.urihttps://hdl.handle.net/11501/2743
dc.identifier.volume738
dc.identifier.wosWOS:001782648700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakScopus
dc.indekslendigikaynakWeb of Science
dc.institutionauthorDuru, İzzet Paruğ
dc.institutionauthorid0000-0002-9227-2497
dc.language.isoen
dc.publisherElsevier B.V.
dc.relation.ispartofPhysica B: Condensed Matter
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAntiferromagnetism
dc.subjectDielectric Function
dc.subjectGGA/PBESol
dc.subjectShielding Efficiency
dc.subjectTincal
dc.titleShielding efficiency of iron doped tincal: a first-principles study
dc.typeArticle

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