1985/01/01 by Imseok Yang, Sergej Y. Savrasov, Gabriel Kotliar +1
Materials Science · Physics and Astronomy · Social Sciences · #Judicial and Constitutional Studies #Law and Political Science #Legal Education and Practice Innovations #Magnetic and transport properties of perovskites and related materials #Magnetic properties of thin films #Physics of Superconductivity and Magnetism #cond-mat.str-el
paper · pdf · doi:10.1103/physrevlett.87.216405
4 pages, 2 figures
openalex publication_date 1985/01/01 · arxiv created 2000/06/23 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/04/28
We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and noncollinearity of intra-atomic magnetization. The LDA+U method is used and its equivalence to dynamical mean-field theory in the static limit is emphasized. Both experimental magnitude of magnetic anisotropy energy and direction of magnetization are predicted correctly near U = 1.9 eV, J = 1.2 eV for Ni and U = 1.2 eV, J = 0.8 eV for Fe. Correlations modify the one-electron spectra which are now in better agreement with experiments.