Non-equilibrium spectral functions from multi-terminal steady-state density functional theory

Abstract

Multi-terminal transport setups allow to realize more complex measurements and functionalities (e.g., transistors) of nanoscale systems than the simple two-terminal arrangement. Here the steady-state density functional formalism (i-DFT) for the description of transport through nanoscale junctions with an arbitrary number of leads is developed. In a three-terminal setup and in the ideal STM limit where one of the electrodes (the `STM tip') is effectively decoupled from the junction, the formalism allows to extract its non-equilibrium spectral function (at arbitrary temperature) while a bias is applied between the other two electrodes. Multi-terminal i-DFT is shown to be capable of describing the splitting of the Kondo resonance in an Anderson impurity in the presence of an applied bias voltage, as predicted by numerically exact many-body approaches.

arXiv comment7 pages, 4 figures

References in corpus (25)

• Low Temperature Transport through a Quantum Dot: The Anderson Model out of Equilibrium
• The Anderson Model out of Equilibrium: Non-Crossing-Approximation Approach to Transport through a Quantum Dot
• Vibrational and electronic heating in nanoscale junctions
• A first-principles approach to electrical transport in atomic-scale nanostructures
• Nonequilibrium functional RG with frequency dependent vertex function: A study of the single impurity Anderson model
• Green's functions from real-time bold-line Monte Carlo: spectral properties of the nonequilibrium Anderson impurity model
• Towards a description of the Kondo effect using time-dependent density functional theory
• Probing the Kondo density of states in a three-terminal quantum ring
• Dynamical Mean-Field Theory for Molecular Electronics: Electronic Structure and Transport Properties
• Measuring the Out-of-Equilibrium Splitting of the Kondo Resonance
• Kondo resonance in a multi-probe quantum dot
• Steady-State Density Functional Theory for Finite Bias Conductances
• Kondo effect and conductance of nanocontacts with magnetic impurities
• Towards a full ab initio theory of strong electronic correlations in nanoscale devices
• Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
• Dynamical correction to linear Kohn-Sham conductances from static density functional theory
• Non-equilibrium Kondo effect in asymmetrically coupled quantum dot
• Many-body spectral functions from steady state density functional theory
• Non-Equilibrium Kondo Model with Voltage Bias in a Magnetic Field
• Transport through correlated systems with density functional theory
• Non-equilibrium conductance of a three-terminal quantum dot in the Kondo regime: Perturbative Renormalization Group
• Nonequilibrium Anderson model made simple with density functional theory
• Non-Adiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density Functional Theory
• Kondo effect in the Kohn-Sham conductance of multiple levels quantum dots
• Exchange-correlation functionals of i-DFT for asymmetrically coupled leads

Cited by in corpus (6)

• Thermoelectric transport within density functional theory
• Steady-state density functional theory for thermoelectric effects
• Mott metal-insulator transition from steady-state density functional theory
• Environment assisted superballistic scaling of conductance
• Thermoelectric efficiency in multiterminal quantum thermal machines from steady-state density functional theory
• Level occupation switching with density functional theory