Coulomb correlations and magnetic anisotropy in ordered L1(0) CoPt and FePt alloys

Article

关键词: TOTAL-ENERGY CALCULATION;    MAGNETOCRYSTALLINE ANISOTROPY;    ELECTRONIC-STRUCTURE;    LDA+U METHOD;    THIN-FILMS;    ORIGIN;   

DOI  :  10.1103/PhysRevB.67.172407

来源: SCIE

【 摘 要 】

We present the results of the magnetocrystalline 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 and the Hubbard U approximation (LSDA+U) are shown to provide a consistent picture of the magnetic ground-state properties when intraatomic Coulomb correlations are included for both 3d and 5d elements. Our results demonstrate a significant and complex contribution of correlation effects to large MAE of these materials.

【 授权许可】

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