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We have studied the orbital-dependent Kondo effect for an Fe impurity in Au host by a combined approach of density functional theory and quantum Monte Carlo method. Our results show that the Kondo temperature of eg electrons is much lower than that of t2g electrons of Fe atoms, and thus support the previous viewpoint of Guo, Maekawa, and Nagaosa [Phys. Rev. Lett. 102, 036401 (2009)]. In addition, it is found that the difference of impurity-host hybridization is more important than the difference of impurity energy levels to induce the orbital-dependent Kondo effect.

Orbital-dependent Kondo effect for Fe in Au : Combined approach of density functional theory and quantum Monte Carlo method