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Using density-functional theory calculations, we investigated the electronicstructure and magnetic exchange interactions of the ordered 3d-5d doubleperovskite Sr2FeOsO6, which has recently drawn attention for interestingantiferromagnetic transitions. Our study reveals the vital role played bylong-range magnetic exchange interactions in this compound. The competitionbetween the ferromagnetic nearest neighbor Os-O-Fe interaction andantiferromagnetic next nearest neighbor Os-O-Fe-O-Os interaction induces strongfrustration in this system, which explains the lattice distortion and magneticphase transitions observed in experiments.

Ab-inito study of low temperature magnetic properties of double perovskite Sr2FeOsO6