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

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Kanungo,  Sudipta
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Yan,  Binghai
Binghai Yan, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Jansen,  Martin
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Felser,  Claudia
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Kanungo, S., Yan, B., Jansen, M., & Felser, C. (2014). Ab initio study of low-temperature magnetic properties of double perovskite Sr2FeOsO6. Physical Review B, 89(21): 214414, pp. 1-6. doi:10.1103/PhysRevB.89.214414.


Cite as: https://hdl.handle.net/11858/00-001M-0000-001A-19C0-8
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.