Coulomb Correlations and Magnetic Anisotropy in ordered L1₀ CoPt and FePt alloys
classification
❄️ cond-mat.mtrl-sci
cond-mat.str-el
keywords
correlationsalloysanisotropycoptcoulombeffectsfeptmagnetic
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We present results of the magneto-crystalline anisotropy energy (MAE) calculations for chemically ordered $L1_0$ CoPt and FePt alloys taking into account the effects of strong electronic correlations and spin-orbit coupling. The local spin density + Hubbard U approximation (LSDA+U) is shown to provide a consistent picture of the magnetic ground state properties when intra-atomic Coulomb correlations are included for both 3$d$ and 5$d$ elements. Our results demonstrate significant and complex contribution of correlation effects to large MAE of these material.
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