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Importance of correlation effects on magnetic anisotropy in Fe and Ni.
- Source :
-
Physical review letters [Phys Rev Lett] 2001 Nov 19; Vol. 87 (21), pp. 216405. Date of Electronic Publication: 2001 Nov 06. - Publication Year :
- 2001
-
Abstract
- 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.
Details
- Language :
- English
- ISSN :
- 0031-9007
- Volume :
- 87
- Issue :
- 21
- Database :
- MEDLINE
- Journal :
- Physical review letters
- Publication Type :
- Academic Journal
- Accession number :
- 11736359
- Full Text :
- https://doi.org/10.1103/PhysRevLett.87.216405