<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi mathvariant="normal">DFT</mml:mi><mml:mo>+</mml:mo><mml:mi mathvariant="normal">DMFT</mml:mi></mml:math> study of dopant effects in the heavy-fermion compound <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">CeCoIn</mml:mi><mml:mn>5</mml:mn></mml:msub></mml:math>

نویسندگان

چکیده

We study the dopant-induced inhomogeneity effect on electronic properties of heavy fermion ${\mathrm{CeCoIn}}_{5}$ using a combined approach density functional theory (DFT) and dynamical mean-field (DMFT). The hybridization between Ce-$4f$ conduction electrons is introduced to impose inequivalent Ce atoms with respect dopant. From DFT $\mathrm{DFT}+\mathrm{DMFT}$ results, we demonstrate variation strength depending hole or electron doping. A drastic asymmetric mass renormalization could be reproduced in calculation. Finally, calculated Kondo temperature reflects different development quasiparticle states,

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ژورنال

عنوان ژورنال: Physical review

سال: 2022

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.105.115121