Non-equilibrium renormalised contacts for transport in nanodevices with interaction: a quasi-particle approach

Abstract

We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions. We consider a model single-molecule nanojunction in the presence of two kinds of electron-vibron interactions. In terms of the electron density matrix, one interaction is diagonal in the central region and the second off-diagonal between the central region and the left electrode. We use a non-equilibrium Green's function technique to calculate the system's properties in a self-consistent manner. The interaction self-energies are calculated at the Hartree-Fock level in the central region and within a dynamical mean-field-like approach for the crossing interaction. Our calculations are performed for different transport regimes ranging from the far off-resonance to the quasi-resonant regime, and for a wide range of parameters. They show that a non-equilibrium (i.e. bias dependent) dynamical (i.e. energy dependent) renormalisation is obtained for the contact between the left electrode and the central region in the form of a non-equilibrium renormalisation of the lead embedding potential. The conductance is affected by the renormalisation of the contact: the amplitude of the main resonance peak is modified as well as `the lineshape of the first vibron side-band.

accepted for publication in Journal of Physics: Conference Series

References in corpus (43)

• Molecular Transport Junctions: Vibrational Effects
• Phonon effects in molecular transistors: Quantum and classical treatment
• Inelastic transport theory from first-principles: methodology and applications for nanoscale devices
• Simultaneous Determination of Conductance and Thermopower of Single Molecule Junctions
• Inelastic scattering and local heating in atomic gold wires
• Unified description of inelastic propensity rules for electron transport through nanoscale junctions
• Dynamical mean-field theory of the small polaron
• Electron-vibration interaction in transport through atomic gold wires
• Conserving approximations in time-dependent quantum transport: Initial correlations and memory effects
• Effects of electron-phonon interaction on non-equilibrium transport through single-molecule transistor
• Quantum inelastic conductance through molecular wires
• Ab initio analysis of electron-phonon coupling in molecular devices
• Coherent electron-phonon coupling and polaron-like transport in molecular wires
• Successes and Failures of Kadanoff-Baym Dynamics in Hubbard Nanoclusters
• Molecular Transport Junctions: Propensity Rules for Inelastic Electron Tunneling Spectra
• Ab initio GW electron-electron interaction effects in Quantum Transport
• Universal features of electron-phonon interactions in atomic wires
• Inelastic current-voltage characteristics of atomic and molecular junctions
• Quantum Interference and Decoherence in Single-Molecule Junctions: How Vibrations Induce Electrical Current
• Vibration-induced correction to the current through a single molecule
• Conserving Approximations in Time-Dependent Density Functional Theory
• Introduction to Nonequilibrium Statistical Mechanics with Quantum Field
• Resonant vibrations, peak broadening and noise in single molecule contacts: beyond the resonant tunnelling picture
• Generalization and applicability of the Landauer formula for non-equilibrium current in the presence of interactions
• Electronic Transport in Fullerene C20 Bridge Assisted by Molecular Vibrations
• Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations
• Correlation induced memory effects in the transport properties of low dimensional systems
• Nonequilibrium resonant spectroscopy of molecular vibrons
• Inelastic effects in electron transport studied with wave packet propagation
• Quantum simulation of manybody effects in steady-state nonequilibrium: electron-phonon coupled quantum dots
• Non-equilibrium electronic structure of interacting single-molecule nanojunctions: vertex corrections and polarization effects for the electron-vibron coupling
• Non-equilibrium inelastic electronic transport: Polarization effects and vertex corrections to the self-consistent Born approximation
• Inelastic quantum transport: the self-consistent Born approximation and correlated electron-ion dynamics
• Inelastic resonant tunneling through single molecules and quantum dots: spectrum modification due to nonequilibrium effects
• Non-equilibrium polaron hopping transport through DNA
• Non-equilibrium quantum transport in fully interacting single-molecule nanojunctions
• Influence of vibrational modes on the electronic properties of DNA
• Kadanoff-Baym approach to time-dependent quantum transport in AC and DC fields
• Initial correlations in nonequilibrium Falicov-Kimball model
• Mechanisms for electron transport in atomic-scale one-dimensional wires: soliton and polaron effects
• Functionality in single-molecule devices: Model calculations and applications of the inelastic electron tunneling signal in molecular junctions
• Non-equilibrium charge susceptibility and dynamical conductance: Identification of scattering processes in quantum transport
• Many-body current formula and current conservation for non-equilibrium fully interacting nanojunctions