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=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.
@article{arxiv.cond-mat/0107063,
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/0107063},
year = {2007}
}