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arxiv: 1601.06022 · v1 · pith:NTE3JCRKnew · submitted 2016-01-22 · ❄️ cond-mat.str-el

Screening of magnetic moment at Co impurity in Cu host

classification ❄️ cond-mat.str-el
keywords impuritygroundmethodstateagreementandersonapproximationatom
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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.

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