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Electronic structure of NaFeAs superconductor: LDA+DMFT calculations compared to the ARPES experiment

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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. In addition, we show that ARPES data taken at about 160 eV beam energy most probably corresponds to k z = π Brillouin zone boundary, while ARPES data measured at about 80 eV beam energy rather represents k z = 0. Contributions of different Fe-3d orbitals into spectral function map are also discussed.

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Authors and Affiliations

  1. Institute for Electrophysics, Ural Branch, Russian Academy of Science, Yekaterinburg, 620016, Russia

    I. A. Nekrasov, N. S. Pavlov & M. V. Sadovskii

  2. Mikheev Institute for Metal Physics, Ural Branch, Russian Academy of Science, Yekaterinburg, 620290, Russia

    M. V. Sadovskii

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  1. I. A. Nekrasov
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Correspondence to I. A. Nekrasov.

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Nekrasov, I.A., Pavlov, N.S. & Sadovskii, M.V. Electronic structure of NaFeAs superconductor: LDA+DMFT calculations compared to the ARPES experiment. Jetp Lett. 102, 26–31 (2015). https://doi.org/10.1134/S0021364015130123

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