Electronic properties of spin excitation in multiferroics with a spinel structure: first principles calculation

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dc.contributor.authorKoc, Husnu
dc.contributor.authorPalaz, Selami
dc.contributor.authorMamedov, Amirullah M.
dc.contributor.authorOzbay, Ekmel
dc.date.accessioned2024-12-24T19:24:07Z
dc.date.available2024-12-24T19:24:07Z
dc.date.issued2019
dc.departmentSiirt Üniversitesi
dc.descriptionJoint International 14th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity (RCBJSF) -- MAY 14-18, 2018 -- St Petersburg, RUSSIA
dc.description.abstractIn the present work, the structural, electronic and mechanical properties of LiVCuO4 and LiCu2O4 spinel type multiferroics have been investigated by means of first principles calculations. The spin polarized generalized gradient approximation has been used for modeling exchange-correlation effects. The structural optimization of these multiferroics compounds has been performed by using VASP-code, and the lattice parameters and magnetic moments have been calculated. From our calculation, it has been determined that the LiVCuO4 compound is a narrow band gap semiconductor, while the LiCu2O4 compound is metallic in nature. Considering the spin states from the electronic band structure and density of the state (DOS) of the LiVCuO4 compound, it has been identified that E-g=1.87 eV for spin up and E-g=0.37 eV for spin down. The second-order elastic constants have been calculated, and the other related quantities have also been estimated in the present work.
dc.description.sponsorshipIoffe Inst,Peter Great St Petersburg Polytechn Univ
dc.description.sponsorshipTurkish Academy of Sciences; project DPT-HAMIT; project NATO-SET-193
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.doi10.1080/00150193.2019.1570010
dc.identifier.endpage49
dc.identifier.issn0015-0193
dc.identifier.issn1563-5112
dc.identifier.issue1
dc.identifier.scopus2-s2.0-85073066340
dc.identifier.scopusqualityQ4
dc.identifier.startpage41
dc.identifier.urihttps://doi.org/10.1080/00150193.2019.1570010
dc.identifier.urihttps://hdl.handle.net/20.500.12604/5834
dc.identifier.volume539
dc.identifier.wosWOS:000470895600007
dc.identifier.wosqualityQ4
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.subjectSpinel type multiferroics
dc.subjectab-initio calculations
dc.subjectmechanical properties
dc.subjectelectronic properties
dc.titleElectronic properties of spin excitation in multiferroics with a spinel structure: first principles calculation
dc.typeConference Object

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