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

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buir.contributor.authorMamedov, Amirullah M.
buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage49en_US
dc.citation.issueNumber1en_US
dc.citation.spage41en_US
dc.citation.volumeNumber539en_US
dc.contributor.authorKoç, H.en_US
dc.contributor.authorPalaz, S.en_US
dc.contributor.authorMamedov, Amirullah M.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2020-02-20T12:44:26Z
dc.date.available2020-02-20T12:44:26Z
dc.date.issued2019-06-04
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.departmentDepartment of Physicsen_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
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 Eg=1.87 eV for spin up and Eg=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.en_US
dc.identifier.doi10.1080/00150193.2019.1570010en_US
dc.identifier.eissn1563-5112
dc.identifier.issn0015-0193
dc.identifier.urihttp://hdl.handle.net/11693/53454
dc.language.isoEnglishen_US
dc.publisherTaylor & Francisen_US
dc.relation.isversionofhttps://dx.doi.org/10.1080/00150193.2019.1570010en_US
dc.source.titleFerroelectricsen_US
dc.subjectSpinel type multiferroicsen_US
dc.subjectAb-initio calculationsen_US
dc.subjectMechanical propertiesen_US
dc.subjectElectronic propertiesen_US
dc.titleElectronic properties of spin excitation in multiferroics with a spinel structure: first principles calculationen_US
dc.typeArticleen_US
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