A1 Refereed original research article in a scientific journal
Influence of Fe/Mo Stoichiometry on Structural and Magnetic Properties in Sr2FexMo2-xO6 : A Theoretical and Experimental Study
Authors: Naushahi, Naman A.; Angervo, I.; Huhtinen, H.; Lastusaari, M.; Chromy, M.; Ernst, A.; Paturi, P.
Publisher: SPRINGER/PLENUM PUBLISHERS
Publishing place: NEW YORK
Publication year: 2025
Journal: Journal of Low Temperature Physics
Journal name in source: JOURNAL OF LOW TEMPERATURE PHYSICS
Journal acronym: J LOW TEMP PHYS
Volume: 219
Issue: 3-4
First page : 157
Last page: 171
Number of pages: 15
ISSN: 0022-2291
eISSN: 1573-7357
DOI: https://doi.org/10.1007/s10909-025-03288-1(external)
Web address : https://doi.org/10.1007/s10909-025-03288-1(external)
Self-archived copy’s web address: https://research.utu.fi/converis/portal/detail/Publication/491873694(external)
The 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.
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Funding information in the publication:
Open Access funding provided by University of Turku (including Turku University Central Hospital).
