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Abstract:
Using density-functional theory calculations, we investigated the
electronic structure and magnetic exchange interactions of the ordered
3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention
for interesting antiferromagnetic transitions. Our study reveals the
vital role played by long-range magnetic exchange interactions in this
compound. The competition between the ferromagnetic nearest-neighbor
Os-O-Fe interaction and antiferromagnetic next-nearest-neighbor
Os-O-Fe-O-Os interaction induces strong frustration in this system,
which explains the lattice distortion and magnetic phase transitions
observed in experiments.
