Journal article · Preprint article
Nonequilibrium GW approach to quantum transport in nano-scale contacts
Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany.1
Correlation effects within the GW approximation have been incorporated into the Keldysh nonequilibrium transport formalism. We show that GW describes the Kondo effect and the zero-temperature transport properties of the Anderson model fairly well. Combining the GW scheme with density functional theory and a Wannier function basis set, we illustrate the impact of correlations by computing the I-V characteristics of a hydrogen molecule between two Pt chains.
Our results indicate that self-consistency is fundamental for the calculated currents, but that it tends to wash out satellite structures in the spectral function.
Language: | English |
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Publisher: | American Institute of Physics |
Year: | 2007 |
Pages: | 091101 |
ISSN: | 10897690 and 00219606 |
Types: | Journal article and Preprint article |
DOI: | 10.1063/1.2565690 |