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

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.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-001A-19C0-8 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-5164-F
Genre: Journal Article

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 Creators:
Kanungo, Sudipta1, Author              
Yan, Binghai2, Author              
Jansen, Martin3, Author              
Felser, Claudia4, Author              
Affiliations:
1Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
2Binghai Yan, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863427              
3Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
4Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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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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 Dates: 2014-06-18
 Publication Status: Published in print
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Title: Physical Review B
  Other : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 89 (21) Sequence Number: 214414 Start / End Page: 1 - 6 Identifier: ISSN: 1098-0121
CoNE: /journals/resource/954925225008