Ab initio study of low-temperature magnetic properties of double perovskite Sr2
FeOsO6

Kanungo, Sudipta; Yan, Binghai; Jansen, Martin; Felser, Claudia

doi:10.1103/PhysRevB.89.214414

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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;

/persons/resource/persons126916

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

/persons/resource/persons126670

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

/persons/resource/persons126601

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

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引用

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):, pp. 1-6. doi:10.1103/PhysRevB.89.214414.

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

要旨

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.