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 shortrange interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach.
First-principle theory of correlated transport through nano-junctions / Ferretti, Andrea; Calzolari, Arrigo; DI FELICE, Rosa; Manghi, Franca; M. J., Caldas; M., BUONGIORNO NARDELLI; Molinari, Elisa. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 94:(2005), pp. 116802-116802.
First-principle theory of correlated transport through nano-junctions
FERRETTI, Andrea;CALZOLARI, ARRIGO;DI FELICE, ROSA;MANGHI, Franca;MOLINARI, Elisa
2005
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 shortrange interactions on Pt atomic wires and discuss the coherent and incoherent correction to the mean-field approach.
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