GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in the I-V characteristics

Abstract

The Anderson model for a single impurity coupled to two leads is studied using the $GW$ approximation in the strong electron-electron interaction regime as a function of the alignment of the impurity level relative to the chemical potentials in the leads. We employ a non-equilibrium Green's function technique to calculate the electron self-energy, the spin density and the current as a function of bias across the junction. In addition we develop an expression for the change in the expectation value of the energy of the system that results when the impurity is coupled to the leads, including the role of Coulomb interactions through the electron self energy in the region of the junction. The current-voltage characteristics calculated within the GW approximation exhibit Coulomb blockade. Depending on the gate voltage and applied bias, we find that there can be more than one steady-state solution for the system, which may give rise to a hysteresis in the I-V characteristics. We show that the hysteresis is an artifact of the $GW$ approximation and would not survive if quantum fluctuations beyond the $GW$ approximation are included.

References in corpus (10)

• Real-time path integral approach to nonequilibrium many-body quantum system
• Diagrammatic Monte Carlo simulation of non-equilibrium systems
• Conserving GW scheme for nonequilibrium quantum transport in molecular contacts
• Iterative real-time path integral approach to nonequilibrium quantum transport
• Transient dynamics of the Anderson impurity model out of equilibrium
• Impact of Exchange-Correlation Effects on the IV Characteristics of a Molecular Junction
• Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model
• Time-dependent DMRG Study on Quantum Dot under a Finite Bias Voltage
• Coulomb Gas on the Keldysh Contour: Anderson-Yuval-Hamann representation of the Nonequilibrium Two Level System
• A Numerical Renormalization Group approach to Non-Equilibrium Green's Functions for Quantum Impurity Models

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