Literature DB >> 11736359

Importance of correlation effects on magnetic anisotropy in Fe and Ni.

I Yang1, S Y Savrasov, G Kotliar.   

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.

Entities:  

Year:  2001        PMID: 11736359     DOI: 10.1103/PhysRevLett.87.216405

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  1 in total

1.  Carrier-dependent magnetic anisotropy of cobalt doped titanium dioxide.

Authors:  Bin Shao; Min Feng; Xu Zuo
Journal:  Sci Rep       Date:  2014-12-16       Impact factor: 4.379

  1 in total

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