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dc.contributor.authorMenendez Muniz, Cesar
dc.contributor.authorCazorla Silva, Claudio
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2021-04-21T08:34:36Z
dc.date.available2021-04-21T08:34:36Z
dc.date.issued2020-09-11
dc.identifier.citationMenendez, C.; Cazorla, C. Giant thermal enhancement of the electric polarization in ferrimagnetic BiFe_{1-x}Co_{x}O_{3} solid solutions near room temperature. "Physical review letters", 11 Setembre 2020, vol. 125, núm. 11, p. 117601.
dc.identifier.issn0031-9007
dc.identifier.urihttp://hdl.handle.net/2117/344060
dc.description.abstractThermal excitations typically reduce the electric polarization in ferroelectric materials. Here, we show by means of first-principles calculations that multiferroic BiFe 1 - x Co x O 3 solid solutions with 0.25 = x = 0.50 (BFCO) represent a noteworthy exception to this behavior. In particular, we find that, at room temperature and for moderate pressures of 0.1–1.0 GPa, depending on the composition, the electric polarization of bulk BFCO increases by ~ 150 % . The origin of such an exceptional behavior is a phase transformation involving a low- T rhombohedral ( R ) phase and a high- T supertetragonal ( T ) phase. Both R and T phases are ferrimagnetic near room temperature with an approximate net magnetization of 0.13 µ B per formula unit. Contrary to what occurs in either bulk BiFeO 3 or BiCoO 3 , the T phase is stabilized over the R by increasing temperature due to its higher vibrational entropy. This extraordinary T -induced R ¿ T phase transition is originated by polar phonon modes that involve concerted displacements of transition-metal and oxygen ions.
dc.description.sponsorshipC. C. acknowledges support from the Spanish Ministry of Science, Innovation, and Universities under the “Ramón y Cajal” fellowship RYC2018-024947-I.
dc.language.isoeng
dc.publisherAmerican Institute of Physics (AIP)
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshFerroelectricity
dc.subject.lcshMagnetism
dc.subject.lcshPhonons
dc.subject.otherFerroelectricity
dc.subject.otherMagnetism
dc.subject.otherPhase transitions
dc.subject.otherPhonons
dc.titleGiant thermal enhancement of the electric polarization in ferrimagnetic BiFe_{1-x}Co_{x}O_{3} solid solutions near room temperature
dc.typeArticle
dc.subject.lemacFerroelectricitat
dc.subject.lemacMagnetisme
dc.subject.lemacFonons
dc.contributor.groupUniversitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity
dc.identifier.doi10.1103/PhysRevLett.125.117601
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttps://journals.aps.org/prl/abstract/10.1103/PhysRevLett.125.117601
dc.rights.accessOpen Access
local.identifier.drac30019274
dc.description.versionPostprint (published version)
local.citation.authorMenendez, C.; Cazorla, C.
local.citation.publicationNamePhysical review letters
local.citation.volume125
local.citation.number11
local.citation.startingPage117601


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