Weyl nodes in Ce3Bi4Pd3 revealed by dynamical mean-field theory

Abstract

Experimental studies have found unusual transport properties in Ce3Bi4Pd3 which are potentially a consequence of the interplay between band-structure topology and electronic correlations. Based on these measurements, the existence of Weyl points in strongly renormalized, flat quasiparticle bands has been postulated. However, so far there has been neither a direct spectroscopic observation of these nor a calculation from first principles that would confirm their existence close to the Fermi energy. Here we present density functional theory and dynamical mean-field theory calculations and study the low-energy excitations and their topological properties. We find that the Kondo effect promotes two out of the six angular momentum J=5/2 states, with the other four pushed to higher energies. Further, we find Weyl nodes close to the Fermi energy as previously suggested for explaining the observed giant spontaneous Hall effect in Ce3Bi4Pd3 as well as nodal lines. Published by the American Physical Society 2024