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 orbitals only, as orbital-mixing interaction terms boost the contribution of the remainder of the shell.
7 More- 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