X-ray spectra and electronic structure of FeAs superconductors

Kurmaev, E. Z.; Wilks, R. G.; Moewes, A.; Skorikov, N. A.; Izyumov, Yu. A.; Finkelstein, L. D.; Li, R. H.; Chen, X. H.

X-ray spectra and electronic structure of FeAs superconductors

Authors

Description

The densities of the valence and conduction band electronic states of the newly discovered layered superconductors LaOFeAs, LaO$_{0.87}$F$_{0.13}$FeAs (Tc=26 K), SmO$_{0.95}$F$_{0.05}$FeAs and SmO$_{0.85}$F$_{0.15}$FeAs (Tc=43 K) are studied using soft X-ray absorption and emission spectroscopy combined with FP LAPW calculations of LaOFeAs, LaO$_{0.875}$FeAs and LaO$_{0.875}$F${0.125}$FeAs. The Fe 3d-states are localized in energy near the top of the valence band and are partially hybridized with p-type O (2p), As (4p), and La (6p) states approximately 3 eV below the Fermi energy. The Fe L3 X-ray emission spectra do not show any features that would indicate the presence of the low Hubbard 3d-band or the quasiparticle peak that were predicted by the DMFT analysis of LaOFeAs. We can conclude that the LaOFeAs-type compounds do not represent strongly correlated systems. When either oxygen vacancies or fluorine dopants are included in numerical electronic structure calculations the width of O 2p-band decreases, but the distribution of Fe 3d-states is largely unaffected.
5 pages, 7 figures