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DFT+ DMFT study of dopant effects in the heavy-fermion compound CeCoIn5

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Title
DFT+ DMFT study of dopant effects in the heavy-fermion compound CeCoIn5
Author(s)
Hong Chul Choi; Bauer, E.D.; Ronning, F.; Zhu, J.-X.
Publication Date
2022-03
Journal
Physical Review B, v.105, no.11
Publisher
American Physical Society
Abstract
We study the dopant-induced inhomogeneity effect on the electronic properties of heavy fermion CeCoIn5 using a combined approach of density functional theory (DFT) and dynamical mean-field theory (DMFT). The inhomogeneity of the hybridization between Ce-4f and 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 Kondo temperature reflects the different development of the heavy quasiparticle states, depending on the dopant. © 2022 American Physical Society.
URI
https://pr.ibs.re.kr/handle/8788114/11447
DOI
10.1103/PhysRevB.105.115121
ISSN
2469-9950
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > 1. Journal Papers (저널논문)
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