Journal
PHYSICAL REVIEW B
Volume 80, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.092501
Keywords
band structure; barium compounds; density functional theory; high-temperature superconductors; iron compounds; photoelectron spectra
Funding
- Russian Foundation [RFFI-07-02-00041]
- Dynasty Foundation
- Russian Federation [NSH 1941.2008.2]
- Russian Academy of Science Presidium
- Federal Agency for Science and Innovations [02.740.11.0217]
- Deutsche Forschungsgemeinschaft [SFB 484]
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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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