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First principle theory of correlated transport through nano-junctions

A. Ferretti·A. Calzolari·R. Di Felice·F. Manghi·M. J. Caldas·M. Buongiorno Nardelli·E. Molinari
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Abstract

We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the interacting electron system. We apply this framework to analyze the effect of short range interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach.

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A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, M. J. Caldas, M. Buongiorno Nardelli, E. Molinari. 2004-09-09. First principle theory of correlated transport through nano-junctions. https://doi.org/10.1103/physrevlett.94.179901

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