Abstract

Tkwant is a Python package for the simulation of quantum nanoelectronics devices to which external time-dependent perturbations are applied. Tkwant is an extension of the kwant package (https://kwant-project.org/) and can handle the same types of systems: discrete tight-binding-like models that consist of an arbitrary central region connected to semi-infinite electrodes. The problem is genuinely many-body even in the absence of interactions and is treated within the non-equilibrium Keldysh formalism. Examples of Tkwant applications include the propagation of plasmons generated by voltage pulses, propagation of excitations in the quantum Hall regime, spectroscopy of Majorana fermions in semiconducting nanowires, current-induced skyrmion motion in spintronic devices, multiple Andreev reflection, Floquet topological insulators, thermoelectric effects, and more. The code has been designed to be easy to use and modular. Tkwant is free software distributed under a BSD license and can be found at https://tkwant.kwant-project.org/.

Highlights

  • The field of quantum nanoelectronics—connecting coherent nano- or microscale devices at sub-Kelvin temperatures to macroscopic electronic measuring apparatus—began in the early eighties and lies at the root of emerging solid-state-based quantum technologies

  • Examples of TKWANT applications include the propagation of plasmons generated by voltage pulses, propagation of excitations in the quantum Hall regime, spectroscopy of Majorana fermions in semiconducting nanowires, current-induced skyrmion motion in spintronic devices, multiple Andreev reflection, Floquet topological insulators, thermoelectric effects, and more

  • A recent and growing trend in the field is to revisit quantum nanoelectronics at increasingly higher frequencies in the GHz to THz range where one can probe the internal dynamics of a system

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Summary

17 February 2021

Thomas Kloss , Joseph Weston, Benoit Gaury, Benoit Rossignol , Christoph Groth and Xavier Waintal1,∗.

Introduction
TKWANT in a nutshell
Fundamentals of time-dependent quantum transport formalism
Toy model of wavefunction formalism: finite system
Numerical approach
Software architecture and main concepts
Infinite systems with initial scattering states
A real-life application: pulse propagation in a graphene quantum billiard
Conclusion and outlook
Problem formulation
Interpolating
Overall adapting algorithm
Cost matrix
Cubic interpolation
Derivatives of the energy spectrum
Heuristic for optimization
Computational complexity

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