Electronic structure of CeIr3 superconductor: DMFT studies

Abstract

We present the band structure of CeIr${}_3$ 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.

arXiv comment6 pages, 3 figures, presented at The European Conference PHYSICS OF MAGNETISM 2021 (PM'21), Poznan, Poland

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Cited by in corpus (1)

• Impact of the Ce $4f$ states in the electronic structure of the intermediate-valence superconductor CeIr${}_3$