Optical, electronic, and elastic properties of some A5B6C7 ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): First principle calculation

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dc.contributor.authorKoc, Husni
dc.contributor.authorPalaz, Selami
dc.contributor.authorMamedov, Amirullah M.
dc.contributor.authorOzbay, Ekmel
dc.date.accessioned2024-12-24T19:28:01Z
dc.date.available2024-12-24T19:28:01Z
dc.date.issued2017
dc.departmentSiirt Üniversitesi
dc.description.abstractIn present paper, we focus on the structural, mechanical, electronic, and optical properties for the A(5)B(6)C(7)(A = Sb, Bi; B = Te, Se; S; C = I, Br, Cl) compounds using the density functional methods in generalized gradient approximation. The lattice parameters, mechanical properties, electronic bands structures and the partial densities of states corresponding to the band structures, and optical properties are presented and analysed. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.
dc.description.sponsorshipproject DPT-HAMIT; project NATO-SET-193; Turkish Academy of Sciences
dc.description.sponsorshipThis work is supported by the projects DPT-HAMIT and NATO-SET-193, and one of the authors (Ekmel Ozbay) also acknowledges partial support from the Turkish Academy of Sciences.
dc.identifier.doi10.1080/00150193.2017.1332967
dc.identifier.endpage34
dc.identifier.issn0015-0193
dc.identifier.issn1563-5112
dc.identifier.issue1
dc.identifier.scopus2-s2.0-85026674126
dc.identifier.scopusqualityQ4
dc.identifier.startpage22
dc.identifier.urihttps://doi.org/10.1080/00150193.2017.1332967
dc.identifier.urihttps://hdl.handle.net/20.500.12604/6887
dc.identifier.volume511
dc.identifier.wosWOS:000406762300007
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofFerroelectrics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241222
dc.subjectElectronic properties
dc.subjectband structure
dc.subjectferroelectrics
dc.titleOptical, electronic, and elastic properties of some A5B6C7 ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): First principle calculation
dc.typeArticle

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