Ab initio GW electron-electron interaction effects in quantum transport (Articolo in rivista)

Type
Label
  • Ab initio GW electron-electron interaction effects in quantum transport (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Darancet, P; Ferretti, A; Mayou, D; Olevano, V (2007)
    Ab initio GW electron-electron interaction effects in quantum transport
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Darancet, P; Ferretti, A; Mayou, D; Olevano, V (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 75 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Inst Neel, CNRS, UPR 2940, F-38042 Grenoble, France; Univ Grenoble 1, F-38042 Grenoble, France; Univ Modena, Dipartimento Fis, I-41100 Modena, Italy; INFM, CNR, S3, Natl Ctr Nanostruct & Biosyst Surfaces, I-41100 Modena, Italy (literal)
Titolo
  • Ab initio GW electron-electron interaction effects in quantum transport (literal)
Abstract
  • We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a physical quasiparticle electronic structure into a nonequilibrium Green's function theory framework. We use an equilibrium non-self-consistent G(0)W(0) self-energy considering both full non-Hermiticity and dynamical effects. The method is applied to a real system, a gold monoatomic chain. With respect to DFT results, the conductance profile is modified and reduced by the introduction of diffusion and loss-of-coherence effects. The linear response conductance characteristics appear to be in agreement with experimental results. (literal)
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