Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102203
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dc.contributor.authorSolovyev, I. V.en
dc.contributor.authorKolodiazhnyi, T. V.en
dc.date.accessioned2021-08-31T15:02:28Z-
dc.date.available2021-08-31T15:02:28Z-
dc.date.issued2016-
dc.identifier.citationSolovyev I. V. Origin of magnetoelectric effect in Co4Nb2 O9 and Co4Ta2 O9: The lessons learned from the comparison of first-principles-based theoretical models and experimental data / I. V. Solovyev, T. V. Kolodiazhnyi. — DOI 10.1103/PhysRevB.94.094427 // Physical Review B. — 2016. — Vol. 94. — Iss. 9. — 094427.en
dc.identifier.issn24699950-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84991010518&doi=10.1103%2fPhysRevB.94.094427&partnerID=40&md5=12b069d90205859d46c043439047d257
dc.identifier.otherhttp://arxiv.org/pdf/1606.06394m
dc.identifier.urihttp://hdl.handle.net/10995/102203-
dc.description.abstractWe report results of joint experimental and theoretical studies on magnetoelectric (ME) compounds Co4Nb2O9 and Co4Ta2O9. On the experimental side, we present results of the magnetization and dielectric permittivity measurements in the magnetic field. On the theoretical side, we construct the low-energy Hubbard-type model for the magnetically active Co3d bands in the Wannier basis, using the input of the first-principles electronic structure calculations, solve this model in the mean-field Hartree-Fock approximation, and evaluate the electric polarization in terms of the Berry phase theory. Both experimental and theoretical results suggest that Co4Ta2O9 is magnetically softer than Co4Nb2O9. Therefore, it is reasonable to expect that the antiferromagnetic structure of Co4Ta2O9 can be easier deformed by the external magnetic field, yielding larger polarization. This trend is indeed reproduced by our theoretical calculations, but does not seem to be consistent with the experimental behavior of the polarization and dielectric permittivity. Thus, we suggest that there should be a hidden mechanism controlling the ME coupling in these compounds, probably related to the magnetic striction or a spontaneous change of the magnetic structure, which breaks the inversion symmetry. Furthermore, we argue that unlike in other ME systems (e.g., Cr2O3), in Co4Nb2O9 and Co4Ta2O9 there are two crystallographic sublattices, which contribute to the ME effect. These contributions are found to be of the opposite sign and tend to compensate each other. The latter mechanism can be also used to control and reverse the electric polarization in these compounds. © 2016 American Physical Society.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourcePhys. Rev. B2
dc.sourcePhysical Review Ben
dc.titleOrigin of magnetoelectric effect in Co4Nb2 O9 and Co4Ta2 O9: The lessons learned from the comparison of first-principles-based theoretical models and experimental dataen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1103/PhysRevB.94.094427-
dc.identifier.scopus84991010518-
local.contributor.employeeSolovyev, I.V., National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan, Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation
local.contributor.employeeKolodiazhnyi, T.V., National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan
local.issue9-
local.volume94-
local.contributor.departmentNational Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan
local.contributor.departmentDepartment of Theoretical Physics and Applied Mathematics, Ural Federal University, Mira Street 19, Ekaterinburg, 620002, Russian Federation
local.identifier.pure1187920-
local.description.order094427-
local.identifier.eid2-s2.0-84991010518-
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