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VOLUME 102 | ISSUE 1 | PAGE 30
Electronic structure of NaFeAs superconductor: LDA+DMFT calculations compared with ARPES experiment1)
Abstract
We present the results of extended theoretical LDA+DMFT calculations for a new iron-pnictide high temperature superconductor NaFeAs compared with the recent high quality angle-resolved photoemission (ARPES) experiments on this system (see arXiv:1409.1537). The universal manifestation of correlation effects in iron-pnictides is narrowing of conducting bands near the Fermi level. Our calculations demonstrate that for NaFeAs the effective mass is renormalized on average by a factor of the order of 3, in good agreement with ARPES data. This is essentially due to correlation effects on Fe-3d orbitals only and no additional interactions with any kind of Boson modes, as suggested in the work mentioned, are necessary to describe the experiment. Also we show that ARPES data taken at about 160 eV beam energy most probably corresponds to kz Brillouin zone boundary, while ARPES data measured at about 80 eV beam energy rather represents kz=0. Contributions of different Fe-3d orbitals into spectral function map are also discussed.


Supplemental files
supp-nekra.pdf