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• W1604458978 abstract "The electronic structure of the spintronic material Sr$_2$CrReO$_6$ is studied by means of full-potential linear muffin-tin orbital method. Scalar relativistic calculations predict Sr$_2$CrReO$_6$ to be half-metallic with a magnetic moment of 1 $mu_B$. When spin-orbit coupling is included, the half-metallic gap closes into a pseudo-gap, and an unquenched rhenium orbital moment appears, resulting in a significant increase of the total magnetic moment to 1.28 $mu_B$. This moment is significantly larger than the experimental moment of 0.9 $mu_B$. A possible explanation of this discrepancy is that the anti-site disorder in Sr$_2$CrReO$_6$ is significantly larger than hitherto assumed." @default.
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• W1604458978 date "2005-01-14" @default.
• W1604458978 modified "2023-10-09" @default.
• W1604458978 title "Pseudo-half-metallicity in the double perovskite Sr2CrReO6 from density-functional calculations" @default.
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• W1604458978 doi "https://doi.org/10.1063/1.1855418" @default.
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