Influence of Fe/Mo Stoichiometry on Structural and Magnetic Properties in Sr2FexMo2-xO6 : A Theoretical and Experimental Study

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dc.contributor.authorNaushahi, Naman A.
dc.contributor.authorAngervo, I.
dc.contributor.authorHuhtinen, H.
dc.contributor.authorLastusaari, M.
dc.contributor.authorChromy, M.
dc.contributor.authorErnst, A.
dc.contributor.authorPaturi, P.
dc.contributor.organizationfi=Wihurin fysiikantutkimuslaboratorio|en=Wihuri Physical Laboratory|
dc.contributor.organizationfi=fysiikan ja tähtitieteen laitos|en=Department of Physics and Astronomy|
dc.contributor.organizationfi=kemian laitos|en=Department of Chemistry|
dc.contributor.organization-code1.2.246.10.2458963.20.26581883332
dc.contributor.organization-code1.2.246.10.2458963.20.27622076134
dc.contributor.organization-code1.2.246.10.2458963.20.55477946762
dc.converis.publication-id491873694
dc.converis.urlhttps://research.utu.fi/converis/portal/Publication/491873694
dc.date.accessioned2025-08-27T23:41:33Z
dc.date.available2025-08-27T23:41:33Z
dc.description.abstractThe influence of nonstoichiometry on the structural and magnetic properties of Sr2FeMoO6 (SFMO) has been investigated by varying the ratio of Fe in polycrystal-line samples. We demonstrate that changes in the Fe/Mo ratio can elevate the Curie temperature ( TC ) in SFMO, even though the total magnetic moment is reduced at the same time. The discoveries of the stoichiometric imbalance between the cations Fe and Mo are discussed in the context of first-principles calculations on the elec-tronic and magnetic structures of SFMO using the GGA+U method. Our theoretical results reveal that Fe deficiency reduces the TC due to the antiparallel alignment of Fe moments in Mo positions, which is consistent with experimental observations. In contrast, accurate TC trends for Fe excess are reproduced only by considering spin disorder, with both parallel and antiparallel Fe moment orientations. These insights provide a detailed understanding of the magnetic interactions in SFMO. Our find-ings lay the groundwork for developing innovative SFMO-based materials and emphasize the significance of stoichiometry control in optimizing SFMO properties.
dc.format.pagerange157
dc.format.pagerange171
dc.identifier.eissn1573-7357
dc.identifier.jour-issn0022-2291
dc.identifier.olddbid204433
dc.identifier.oldhandle10024/187460
dc.identifier.urihttps://www.utupub.fi/handle/11111/52688
dc.identifier.urlhttps://doi.org/10.1007/s10909-025-03288-1
dc.identifier.urnURN:NBN:fi-fe2025082790436
dc.language.isoen
dc.okm.affiliatedauthorNaushahi, Naman
dc.okm.affiliatedauthorAngervo, Ilari
dc.okm.affiliatedauthorHuhtinen, Hannu
dc.okm.affiliatedauthorLastusaari, Mika
dc.okm.affiliatedauthorPaturi, Petriina
dc.okm.discipline114 Physical sciencesen_GB
dc.okm.discipline114 Fysiikkafi_FI
dc.okm.internationalcopublicationinternational co-publication
dc.okm.internationalityInternational publication
dc.okm.typeA1 ScientificArticle
dc.publisherSPRINGER/PLENUM PUBLISHERS
dc.publisher.countryUnited Statesen_GB
dc.publisher.countryYhdysvallat (USA)fi_FI
dc.publisher.country-codeUS
dc.publisher.placeNEW YORK
dc.relation.doi10.1007/s10909-025-03288-1
dc.relation.ispartofjournalJournal of Low Temperature Physics
dc.relation.issue3-4
dc.relation.volume219
dc.source.identifierhttps://www.utupub.fi/handle/10024/187460
dc.titleInfluence of Fe/Mo Stoichiometry on Structural and Magnetic Properties in Sr2FexMo2-xO6 : A Theoretical and Experimental Study
dc.year.issued2025

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