Spin fluctuation effects on the conductance through a single Pd atom contact

Abstract

A controversy about the conductance through single atoms still exists. There are many experiments where values lower than the quantum unity G0 = 2e2/h have been found associated to Kondo regimes with high Kondo temperatures. Specifically in the Pd single atom contact, conductance values close to G0/2 at room temperature have been reported. In this work we propose a theoretical analysis of a break junction of Pd where the charge fluctuation in the single atom contact is limited to the most probable one: d10 a d9. The projected density of states and the characteristics of the electron transport are calculated by using a realistic description of the interacting system. A Kondo regime is found where the conductance values and their dependence on temperature are in good agreement with the experimental trends observed in the conduction of single molecule transistors based on transition metal coordination complexes.