We study the dopant-induced inhomogeneity effect on the electronic properties of heavy fermionCeCoIn5using a combined approach of density functional theory (DFT) and dynamical mean-field theory (DMFT). The inhomogeneity of the hybridization between Ce-4fand conduction electrons is introduced to impose the inequivalent Ce atoms with respect to the dopant. From the DFT to the DFT+DMFT results, we demonstrate a variation of the hybridization strength depending on the hole or electron doping. A drastic asymmetric mass renormalization could be reproduced in the DFT+DMFT calculation. Finally, the calculated coherence temperature reflects the different development of the heavy quasiparticle states, depending on the dopant.
@article{arxiv.2108.11008,
title = {DFT+DMFT study of dopant effect in a heavy fermion compound CeCoIn5},
author = {Hong Chul Choi and Eric D. Bauer and Filip Ronning and Jian-Xin Zhu},
journal= {arXiv preprint arXiv:2108.11008},
year = {2022}
}