Dresden 2020 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 47: Poster Session Correlated Electrons 2

TT 47.29: Poster

Mittwoch, 18. März 2020, 15:00–19:00, P2/3OG

Electronic and magnetic properties of Co impurity in Cu Host — •Daria Medvedeva1, Alexander Poteryaev2, Jindřich Kolorenč1, and Alexander Shick11Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic — 2Institute of Metal Physics of the Russian Academy of Sciences, Yekaterinburg, Russian Federation

The electron correlations play a crucial role in understanding of quantum matter. The Kondo effect that originates from scattering of itinerant electrons by local moments and corresponding screening is a manifestation of these many-electron correlations. Realistic multi-orbital approaches have to be applied in order to explain the experimental properties of Kondo 3d impurities in the bulk [1] and at the surface [2]. We consider the solution of multi-orbital single impurity Anderson model (SIAM) making use of CT-QMC (CT-HYB) and Exact diagonalization (ED based on Lanczos) for the Co impurity in bulk Cu. The model is parametrized using LDA computed hybridization function, and the crystal field. Spectral functions calculated by the ED method are in good agreement with QMC. It is found that the ground state of the impurity model is a singlet for different occupations of the impurity d-shell, that is, the Co magnetic moment is screened by Cu conduction electrons.

[1] L. Joly et al. Phys. Rev. B 95, 041108(R) (2017)

[2] R. Mozara et al., Phys. Rev. B 97, 085133 (2018)

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