Spin Interactions and Magnetic Order in the Iron Oxychalcogenides BaFe2Q2O (Q = S and Se)

The ability to tune the iron chalcogenides BaFe2Q3 from Mott insulators to metals and then superconductors with applied pressure has renewed interest in low-dimensional iron chalcogenides and oxychalcogenides. In a recent paper a combined experimental and theoretical study on the iron oxychalcogenides BaFe2Q2O (Q = S, Se) is reported. It is shown that their magnetic behavior results from nearest-neighbor magnetic exchange interactions via oxide and selenide anions of similar strength, with properties consistent with more localized electronic structures than those of BaFe2Q3 systems. This work is a collaboration between the Materials for Energy and Electronics and Physics of Quantum Materials groups at the University of Kent with the ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory and it has been published in Physical Review B. The full text is available on the Kent Academic Repository.