Competing magnetic interactions and the role of unpaired 4f llectrons in oxygen-deficient perovskites Ba3RFe2O7.5 (R = Y, Dy)

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dc.contributor.authorBrown, AJen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorManjón-Sanz, Aen_AU
dc.contributor.authorBrand, HEAen_AU
dc.contributor.authorLing, CDen_AU
dc.date.accessioned2024-10-04T00:24:50Zen_AU
dc.date.available2024-10-04T00:24:50Zen_AU
dc.date.issued2023-05-01en_AU
dc.date.statistics2024-04-23en_AU
dc.description.abstractOxygen-deficient perovskite compounds with the general formula Ba3RFe2O7.5 present a good opportunity to study competing magnetic interactions between Fe3+ 3d cations with and without the involvement of unpaired 4f electrons on R3+ cations. From analysis of neutron powder diffraction data, complemented by ab initio density functional theory calculations, we determined the magnetic ground states when R3+ = Y3+ (non-magnetic) and Dy3+ (4f9). They both adopt complex long-range ordered antiferromagnetic structures below TN = 6.6 and 14.5 K, respectively, with the same magnetic space group Ca2/c (BNS #15.91). However, the dominant influence of f-electron magnetism is clear in temperature dependence and differences between the size of the ordered moments on the two crystallographically independent Fe sites, one of which is enhanced by R-O-Fe superexchange in the Dy compound, while the other is frustrated by it. The Dy compound also shows evidence for temperature- and field-dependent transitions with hysteresis, indicating a field-induced ferromagnetic component below TN. © 2024 American Chemical Societyen_AU
dc.description.sponsorshipThis work was supported by the Australian Government Research Training Stipend. We thank ANSTO for beamtime awarded on the Australian Synchrotron PD and ACNS Echidna beamlines and Oak Ridge National Laboratory for beamtime awarded on the SNS POWGEN beamline. Preliminary XRD data were collected at Sydney Analytical, a Core Research Facility at the University of Sydney. This manuscript has been co-authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.en_AU
dc.format.mediumPrint-Electronicen_AU
dc.identifier.citationBrown, A. J., Avdeev, M., Manjón-Sanz, A., Brand, H. E. A., & Ling, C. D. (2023). Competing magnetic interactions and the role of unpaired 4f electrons in oxygen-deficient perovskites Ba3RFe2O7.5 (R = Y, Dy). Inorganic Chemistry, 62(17), 6786-6793. doi:10.1021/acs.inorgchem.3c00524en_AU
dc.identifier.issn0020-1669en_AU
dc.identifier.issn1520-510Xen_AU
dc.identifier.issue17en_AU
dc.identifier.journaltitleInorganic Chemistryen_AU
dc.identifier.pagination6786-6793en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.3c00524en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15728en_AU
dc.identifier.volume62en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Society (ACS)en_AU
dc.subjectPerovskitesen_AU
dc.subjectIronen_AU
dc.subjectAntiferromagnetic materialsen_AU
dc.subjectElectronsen_AU
dc.subjectOxygenen_AU
dc.subjectRare earthsen_AU
dc.subjectCationsen_AU
dc.subjectEnergyen_AU
dc.subjectMagnetic propertiesen_AU
dc.titleCompeting magnetic interactions and the role of unpaired 4f llectrons in oxygen-deficient perovskites Ba3RFe2O7.5 (R = Y, Dy)en_AU
dc.typeJournal Articleen_AU
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