Importance of Correlation Effects on Magnetic Anisotropy in Fe and Ni

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

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.
4 pages, 2figures

Keywords

Strongly Correlated Electrons, Materials Science

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/17975

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0107063
 http://arxiv.org/abs/cond-mat/0107063

Collections

arXiv