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

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.

preprint2009arXivOpen access
E. GorelovT. O. WehlingA. N. RubtsovM. I. KatsnelsonA. I. Lichtenstein
cond-mat.str-elcond-mat.mtrl-sci
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Open access5 authors2 topics
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E. GorelovT. O. WehlingA. N. RubtsovM. I. KatsnelsonA. I. Lichtenstein

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