Electronic structure of CeIr3 superconductor: DMFT studies

Abstract

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 γexpt. due to the underestimated density of states at the Fermi level N (EF ) followed by an overestimated strength of electron-phonon coupling (EPC) calculated as a renormalization of γexpt.. The DMFT study shows a strong hybridization of 4f states of Ce with 5d-states of Ir, which leads to the larger N (EF ) giving the correct γexpt. with a moderate EPC in agreement with the experimental data.