GW electronic Correlations in Quantum Transport : Renormalization and finite lifetime effects on real systems

ORAL

Abstract

We present an {\it 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 non-equilibrium Green's function theory framework. We use an equilibrium non-selfconsistent $G^0W^0$ self-energy considering both full non-hermiticity and dynamical effects. The method is applied to a real system, a gold mono-atomic chain. With respect to DFT results, the conductance profile is modified and reduced by to the introduction of diffusion and loss-of-coherence effects. The linear response conductance characteristic appear to be in agreement with experimental results.

Authors

  • Pierre Darancet

    • LEPES-CNRS and Universit\'e Joseph Fourier, Grenoble
  • Andrea Ferretti

    • Dipartimento di Fisica, Universit\`a di Modena e Reggio Emilia, and INFM-CNR-S3, National Center on nanoStructures and bioSystems at Surfaces, 41100
  • Didier Mayou

    • LEPES-CNRS
  • Valerio Olevano

    • LEPES-CNRS