Electronic structure of CeIr3 superconductor: DMFT studies

We present the band structure of CeIr3 superconductor calculated within the dynamical mean field theory (DMFT). Standard GGA and GGA+U methods fail to reproduce the experimental electronic specific heat coefficient gamma(expt). due to the underestimated density of states at the Fermi level N(E-F) followed by an overestimated strength of electron-phonon coupling (EPC) calculated as a renormalization of gamma(expt). The DMFT study shows a strong hybridization of 4f states of Ce with 5d-states of Ir, which leads to the larger N(E-F) giving the correct gamma(expt). with a moderate EPC in agreement with the experimental data.

Automated summary

We present the band structure of CeIr3 superconductor calculated using DMFT. The standard methods fail to reproduce experimental results, but DMFT study shows a strong hybridization between Ce and Ir, which leads to accurate predictions.