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

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
OSTI ID:1045272
Electronic correlations in the Fe-pnictide BaFe{sub 2}As{sub 2} 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 BaFe{sub 2}As{sub 2} is a moderately correlated system.
Research Organization:
Oak Ridge National Laboratory (ORNL)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-00OR22725
OSTI ID:
1045272
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 9 Vol. 80; ISSN 1098-0121
Country of Publication:
United States
Language:
English

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