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

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

2009-05-21

arxiv.org/abs/0905.3581v1

Physics

Condensed Matter

Strongly Correlated Electrons

6 pages, 4 figures

Scientific paper

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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