Extracting the Single-Particle Gap in Carbon Nanotubes with Lattice Quantum Monte Carlo

Evan Berkowitz; Christopher Körber; Stefan Krieg; Peter Labus; Timo A. Lähde; Thomas Luu

doi:10.1051/epjconf/201817503009

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Proceedings

Open Access

EPJ Web of Conferences 175, 03009 (2018)
https://doi.org/10.1051/epjconf/201817503009

Extracting the Single-Particle Gap in Carbon Nanotubes with Lattice Quantum Monte Carlo

Evan Berkowitz¹, Christopher Körber¹, Stefan Krieg², Peter Labus³, Timo A. Lähde¹ and Thomas Luu¹^*

¹ Institut für Kernphysik and Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich Germany
² Jülich Supercomputing Center, Forschungszentrum Jülich, 52425 Jülich Germany
³ International School for Advanced Studies, via Bonomea 265, Trieste, Italy

^* Speaker, e-mail: t.luu@fz-juelich.de. Corresponding slides available at https://makondo.ugr.es/event/0/session/101/contribution/319

Published online: 26 March 2018

Abstract

We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed within the lattice QCD community for our numerical work and compare our results to empirical data of the Anti-Ferromagnetic Mott Insulating gap in large diameter tubes.

© The Authors, published by EDP Sciences, 2018

This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (http://creativecommons.org/licenses/by/4.0/).