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arxiv: 0906.3218 · v1 · submitted 2009-06-17 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

Classification of the electronic correlation strength in the Fe-pnictides: The case of the parent compound BaFe2As2

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords bafe2as2electronicclassificationcorrelatedcorrelationsspectralstrengththeory
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Electronic correlations in the Fe-pnictide BaFe2As2 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 BaFe2As2 is a moderately correlated system.

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