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arXiv · 1403.4894

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

Sudipta Kanungo·Binghai Yan·Martin Jansen·Claudia Felser
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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.

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Sudipta Kanungo, Binghai Yan, Martin Jansen, Claudia Felser. 2014-03-19. Ab-inito study of low temperature magnetic properties of double perovskite Sr2FeOsO6. https://doi.org/10.1103/physrevb.89.214414

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