Screening of magnetic moment at Co impurity in Cu host

TL;DR

This study investigates the magnetic properties of a cobalt impurity in copper using advanced many-body computational methods, revealing a nonmagnetic ground state consistent across different approaches.

Contribution

It applies a multi-orbital Anderson impurity model parametrized by DFT and solves it with Lanczos, providing detailed insights into the impurity's magnetic state.

Findings

Impurity has a nonmagnetic ground state.

Spectral densities agree with quantum Monte Carlo results.

Method effectively captures many-body effects in impurity systems.

Abstract

Cobalt impurity located in the bulk copper is described making use of the multi-orbital Anderson impurity model that is parametrized to match the electronic structure from the local density approximation, and solved using the Lanczos method. We concentrate on the many-body description of the ground state and excitation spectra. The calculations yield a nonmagnetic ground state for the impurity atom. The computed spectral densities are in a good agreement with those obtained using the quantum Monte Carlo method.