We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and non-collinearity 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 MAE and direction of magnetization are predicted correctly near U=4 eV for Ni and U=3.5 eV for Fe. Correlations modify one-electron spectra which are now in better agreement with experiments.
@article{arxiv.cond-mat/0006385,
title = {Importance of Correlation Effects on Magnetic Anisotropy in Fe and Ni},
author = {Imseok Yang and Sergej Y. Savrasov and Gabriel Kotliar},
journal= {arXiv preprint arXiv:cond-mat/0006385},
year = {2009}
}