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arxiv: cond-mat/0210157 · v2 · submitted 2002-10-08 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

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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