Topological semimetals in the ZrB5 (B = Se, Te) material class: Weyl points and electronic properties

Basit Öğe Kaydı
dc.authoridMamedov, Amirullah/0000-0002-0837-3931
dc.contributor.authorKoc, Husnu
dc.contributor.authorMamedov, Amirullah M.
dc.contributor.authorOzbay, Ekmel
dc.date.accessioned2024-12-24T19:23:54Z
dc.date.available2024-12-24T19:23:54Z
dc.date.issued2024
dc.departmentSiirt Üniversitesi
dc.description15th International Meeting of Ferroelectricity (IMF) -- MAR 26-30, 2023 -- Tel Aviv, ISRAEL
dc.description.abstractIn the present work, the electronic structure, elastic parameters, density of states (partial and total), optical properties, and charge density of ZrB5 (B = Se, Te) have been investigated by means of first principles calculations. The generalized gradient approximation has been used for modeling the exchange -correlation effects. It has been observed that the calculated lattice parameter values are in agreement with the values in the literature. The second -order elastic constants were calculated, and the other related quantities have also been estimated. The electronic band structures and the partial density of states corresponding to these band structures of ZrSe5 and ZrTe5 are examined, and it is understood that ZrTe5 and ZrSe5 are narrow band semiconductors or semimetals. Finally, the electron energy loss function (ELS) spectra and charge density of ZrB(5 )are calculated and interpreted.
dc.description.sponsorshipTurkish Academy of Sciences [NATO-SET-193]
dc.description.sponsorshipThis work is supported by the projects DPT-HAMIT and NATO-SET-193. One of the authors (Ekmel Ozbay) acknowledges partial support from the Turkish Academy of Sciences.
dc.identifier.doi10.1080/00150193.2023.2300602
dc.identifier.endpage935
dc.identifier.issn0015-0193
dc.identifier.issn1563-5112
dc.identifier.issue4
dc.identifier.scopus2-s2.0-85185339692
dc.identifier.scopusqualityQ4
dc.identifier.startpage928
dc.identifier.urihttps://doi.org/10.1080/00150193.2023.2300602
dc.identifier.urihttps://hdl.handle.net/20.500.12604/5733
dc.identifier.volume618
dc.identifier.wosWOS:001167925100009
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofFerroelectrics
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241222
dc.subjectAb initio calculation
dc.subjectelastic properties
dc.subjectelectronic structure
dc.subjectoptical properties
dc.subjectcharge density
dc.titleTopological semimetals in the ZrB5 (B = Se, Te) material class: Weyl points and electronic properties
dc.typeConference Object

Dosyalar

Koleksiyon

WOS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu