Time-linear quantum transport simulations with correlated nonequilibrium green's functions

R Tuovinen, Y Pavlyukh, E Perfetto, G Stefanucci - Physical Review Letters, 2023 - APS
We present a time-linear scaling method to simulate open and correlated quantum systems
out of equilibrium. The method inherits from many-body perturbation theory the possibility to …

Transport through correlated systems with density functional theory

S Kurth, G Stefanucci - Journal of Physics: Condensed Matter, 2017 - iopscience.iop.org
We present recent advances in density functional theory (DFT) for applications in the field of
quantum transport, with particular emphasis on transport through strongly correlated …

[HTML][HTML] Green's function methods for single molecule junctions

G Cohen, M Galperin - The Journal of chemical physics, 2020 - pubs.aip.org
We present a brief pedagogical review of theoretical Green's function methods applicable to
open quantum systems out of equilibrium, in general, and single molecule junctions, in …

Stable and metallic borophene nanoribbons from first-principles calculations

Y Liu, YJ Dong, Z Tang, XF Wang, L Wang… - Journal of Materials …, 2016 - pubs.rsc.org
Recently, borophene was reported to be produced on silver surfaces. We employed density
functional theory and electronic transport calculations to investigate the stabilities, electronic …

Comparing the generalized Kadanoff-Baym ansatz with the full Kadanoff-Baym equations for an excitonic insulator out of equilibrium

R Tuovinen, D Golež, M Eckstein, MA Sentef - Physical Review B, 2020 - APS
We investigate out-of-equilibrium dynamics in an excitonic insulator (EI) with a finite-
momentum pairing perturbed by a laser-pulse excitation and a sudden coupling to fermionic …

A many-body approach to transport in quantum systems: from the transient regime to the stationary state

M Ridley, NW Talarico, D Karlsson… - Journal of Physics A …, 2022 - iopscience.iop.org
We review one of the most versatile theoretical approaches to the study of time-dependent
correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) …

From Bloch oscillations to a steady-state current in strongly biased mesoscopic devices

JMA Pinho, JPS Pires, SM João, B Amorim… - Physical Review B, 2023 - APS
It has long been known that quantum particles moving in a periodic lattice and subject to a
constant force field undergo an oscillatory motion that is referred to as Bloch oscillations …

Transient charge and energy flow in the wide-band limit

F Covito, FG Eich, R Tuovinen… - Journal of chemical …, 2018 - ACS Publications
The wide-band limit is a commonly used approximation to analyze transport through
nanoscale devices. In this work we investigate its applicability to the study of charge and …

Shaping electronic flows with strongly correlated physics

A Erpenbeck, E Gull, G Cohen - Nano Letters, 2023 - ACS Publications
Nonequilibrium quantum transport is of central importance in nanotechnology. Its description
requires the understanding of strong electronic correlations that couple atomic-scale …

Electronic transport in molecular junctions: The generalized Kadanoff–Baym ansatz with initial contact and correlations

R Tuovinen, R van Leeuwen, E Perfetto… - The Journal of …, 2021 - pubs.aip.org
The generalized Kadanoff–Baym ansatz (GKBA) offers a computationally inexpensive
approach to simulate out-of-equilibrium quantum systems within the framework of …