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arXiv · 0906.3218

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

S. L. Skornyakov·A. V. Efremov·N. A. Skorikov·M. A. Korotin·Yu. A. Izyumov·V. I. Anisimov·A. V. Kozhevnikov·D. Vollhardt
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Abstract

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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S. L. Skornyakov, A. V. Efremov, N. A. Skorikov, M. A. Korotin, Yu. A. Izyumov, V. I. Anisimov, A. V. Kozhevnikov, D. Vollhardt. 2009-06-17. Classification of the electronic correlation strength in the Fe-pnictides: The case of the parent compound BaFe2As2. https://doi.org/10.1103/physrevb.80.092501

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