Electronic correlations in the Fe-pnictide BaFe2 As2 are explored within LDA+DMFT, the combination of density functional theory with dynamical mean-field theory. While the correlated band structure is substantially renormalized there is only little transfer of spectral weight. The computed k -integrated and k -resolved spectral functions are in good agreement with photoemission spectroscopy (PES) and angular resolved PES experiments. Making use of a general classification scheme for the strength of electronic correlations we conclude that BaFe2 As2 is a moderately correlated system.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 3 Sep 2009|