• Open Access

Kondo screening in Co adatoms with full Coulomb interaction

Angelo Valli, Marc Philipp Bahlke, Alexander Kowalski, Michael Karolak, Carmen Herrmann, and Giorgio Sangiovanni
Phys. Rev. Research 2, 033432 – Published 17 September 2020
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Abstract

Using a numerically exact first-principles many-body approach, we revisit the “prototypical” Kondo case of a cobalt impurity on copper. Even though this is considered a well understood example of the Kondo effect, we reveal an unexpectedly strong dependence of the screening properties on the parametrization of the local Coulomb tensor. As a consequence, the Kondo temperature can vary by orders of magnitude depending on the complexity of the parametrization of the electron-electron interaction. Further, we challenge the established picture of a spin-1 moment involving two cobalt d orbitals only, as orbital-mixing interaction terms boost the contribution of the remainder of the d shell.

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  • Received 14 April 2020
  • Revised 19 August 2020
  • Accepted 19 August 2020

DOI:https://doi.org/10.1103/PhysRevResearch.2.033432

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Angelo Valli1, Marc Philipp Bahlke2, Alexander Kowalski3, Michael Karolak4, Carmen Herrmann2, and Giorgio Sangiovanni4

  • 1Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstrasse 8-10, 1040 Vienna, Austria
  • 2Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany
  • 3Institut für Theoretische Physik und Astrophysik, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany
  • 4Institut für Theoretische Physik und Astrophysik and Würzburg-Dresden Cluster of Excellence ct.qmat, Universität Würzburg, 97074 Würzburg, Germany

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Vol. 2, Iss. 3 — September - November 2020

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