Quantum transport theory: numerics and dynamics

Antti‐Pekka Jauho

Marco Schirò, Michele Fabrizio

We propose a numerically exact approach to nonequilibrium real-time dynamics that is applicable to quantum impurity models coupled to biased noninteracting leads, such as those relevant to quantum transport in nanoscale devices. The method is based on a diagrammatic Monte Carlo sampling of the real-time perturbation theory along the Keldysh contour. We benchmark the method on a noninteracting resonant-level model and, as a first nontrivial application, we study zero-temperature nonequilibrium transport through a vibrating molecule.

Carlo Jacoboni, Paolo Bordone

The use of the Wigner function for the study of quantum transport in open systems present severe criticisms. Some of the problems arise from the assumption of infinite coherence length of the electron dynamics outside the system of interest. In the present work the theory of the Wigner function is revised assuming a finite coherence length. A new dynamical equation is found, corresponding to move the Wigner momentum off the real axis, and a numerical analysis is performed for the case of study of the onedimensional potential barrier.

Rudi Malfliet

Anonymous, Dan S. Borgnia, SuryaNeil Ahuja +2 more

Traditional theories of electron transport in crystals are based on the Boltzmann equation and do not capture physics arising from quantum coherence. We introduce a transport formalism based on orbital Wigner functions, which accurately captures quantum coherent physics in multiband fermionic systems. We illustrate the power of this approach compared with traditional semiclassical transport theory by testing it numerically against microscopic simulations of one-dimensional, noninteracting, two-band systems—the simplest systems capable of exhibiting interorbital coherence. We show that orbital Wigner functions accurately capture strongly nonequilibrium features of electron dynamics that lie beyond conventional Boltzmann theory, such as the ballistic transport of a relative phase between microscopic orbitals and topological Thouless pumping of charge, both at nonzero temperature and away from the adiabatic limit. Our approach is motivated in part by modern ultracold atom experiments that can prepare and measure far-from-equilibrium charge transport and phase coherence in multiband fermionic systems, calling for correspondingly precise theories of transport. The quantitative accuracy exhibited by our approach, together with its capacity to capture nontrivial physics even at the ballistic scale, establishes orbital Wigner functions as an ideal starting point for developing a fully systematic theory of transport in crystals.

Leonardo Lauck, Aurea Rosas Vasconcellos, Roberto Luzzi