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arXiv · 0905.3581

Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)

E. Gorelov·T. O. Wehling·A. N. Rubtsov·M. I. Katsnelson·A. I. Lichtenstein
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Abstract

The electronic structure of a prototype Kondo system, a cobalt impurity in a copper host is calculated with accurate taking into account of correlation effects on the Co atom. Using the recently developed continuous-time QMC technique, it is possible to describe the Kondo resonance with a complete four-index Coulomb interaction matrix. This opens a way for completely first-principle calculations of the Kondo temperature. We have demonstrated that a standard practice of using a truncated Hubbard Hamiltonian to consider the Kondo physics can be quantitatively inadequate.

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E. Gorelov, T. O. Wehling, A. N. Rubtsov, M. I. Katsnelson, A. I. Lichtenstein. 2009-05-21. Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111). https://doi.org/10.1103/physrevb.80.155132

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