Density functional description of Coulomb blockade: Adiabatic or dynamic exchange-correlation?

Abstract

Above the Kondo temperature, the Kohn-Sham zero-bias conductance of an Anderson junction has been shown to completely miss the Coulomb blockade. Within a standard model for the spectral function, we deduce a parameterization for both the onsite exchange-correlation potential and the bias drop as a function of the site occupation that applies for all correlation strengths. We use our results to sow doubt on the common interpretation of such corrections as arising from dynamical exchange-correlation contributions.

9 pages, 8 figures, submitted to Phys. Rev. B

References in corpus (8)

• Kondo effect in quantum dots
• Dynamical corrections to the DFT-LDA electron conductance in nanoscale systems
• Density functional calculations of nanoscale conductance
• Electrical response of molecular systems: the power of self-interaction corrected Kohn-Sham theory
• Incompleteness of the Landauer Formula for Electronic Transport
• Exact ground state density functional theory for impurity models coupled to external reservoirs and transport calculations
• Energy gaps and interaction blockade in confined quantum systems
• Treatment of electron viscosity in quantum conductance

Cited by in corpus (9)

• Steady-State Density Functional Theory for Finite Bias Conductances
• Local density approximation in site-occupation embedding theory
• Nonequilibrium Anderson model made simple with density functional theory
• Non-Adiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density Functional Theory
• Site-Occupation Embedding Theory using Bethe Ansatz Local Density Approximations
• Image effects in transport at metal-molecule interfaces
• Density Functional Theory of the Seebeck coefficient in the Coulomb blockade regime
• Time-dependent i-DFT exchange-correlation potentials with memory: Applications to the out-of-equilibrium Anderson model
• Dynamics of the Anderson impurity model: benchmarking a non-adiabatic exchange-correlation potential in time-dependent density functional theory