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- W1919718612 abstract "Structural, electronic and magnetic properties of Sr2FeOsO6 have been revisited by using the first-principle calculations. Semiconducting behavior is reproduced. The band gap is 0.09 eV from generalized gradient approximation (GGA) and 0.30 eV by considering both SOC and U, a bit larger than the experimental observed 0.125 eV. In the C-type antiferromagnetic configuration, spin frustration is found by analysing the magnetic exchange parameters, explaining the experimental observed magnetic complexity. (© 2014 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim)" @default.
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- W1919718612 date "2014-07-19" @default.
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- W1919718612 title "First-principle investigations of the peculiar magnetic behavior of Sr<sub>2</sub> FeOsO<sub>6</sub>" @default.
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- W1919718612 doi "https://doi.org/10.1002/pssr.201409287" @default.
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