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  • Letter

Local magnetic moment formation and Kondo screening in the half-filled single-band Hubbard model

T. B. Mazitov1 and A. A. Katanin1,2

  • 1Center for Photonics and 2D Materials, Moscow Institute of Physics and Technology, Institutsky Lane 9, Dolgoprudny 141700, Moscow Region, Russia
  • 2M. N. Mikheev Institute of Metal Physics, Kovalevskaya Street 18, 620219 Ekaterinburg, Russia

Phys. Rev. B 105, L081111 – Published 22 February, 2022

DOI: https://doi.org/10.1103/PhysRevB.105.L081111

Abstract

We study the formation of local magnetic moments in the strongly correlated Hubbard model within dynamical mean-field theory and associate peculiarities of the temperature dependence of local charge χc and spin χs susceptibilities with different stages of local moment formation. The local maximum of the temperature dependence of the charge susceptibility χc is associated with the beginning of local magnetic moment formation, while the minimum of the susceptibility χc and double occupation, as well as the low-temperature boundary of the plateau of the effective local magnetic moment μeff2=Tχs temperature dependence are connected with the full formation of local moments. We also obtain the interaction dependence of the Kondo temperature TK, which is compared to the fingerprint criterion of Chalupa et al. [Phys. Rev. Lett. 126, 056403 (2021)]. Near the Mott transition the two criteria coincide, while further away from the Mott transition the fingerprint criterion somewhat overestimates the Kondo temperature. The relation of the observed features to the behavior of eigenvectors/eigenvalues of fermionic frequency-resolved charge susceptibility and divergences of irreducible vertices is discussed.

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