Cargando…

Electrons Surf Phason Waves in Moiré Bilayers

[Image: see text] We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe(2)/WSe(2) heterobilayer using a combination of classical molecular dynamics and ab initio density functional theory calculations. Our calculations reveal that thermally excite...

Descripción completa

Detalles Bibliográficos
Autores principales: Maity, Indrajit, Mostofi, Arash A., Lischner, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10273461/
https://www.ncbi.nlm.nih.gov/pubmed/37235740
http://dx.doi.org/10.1021/acs.nanolett.3c00490
_version_ 1785059677087727616
author Maity, Indrajit
Mostofi, Arash A.
Lischner, Johannes
author_facet Maity, Indrajit
Mostofi, Arash A.
Lischner, Johannes
author_sort Maity, Indrajit
collection PubMed
description [Image: see text] We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe(2)/WSe(2) heterobilayer using a combination of classical molecular dynamics and ab initio density functional theory calculations. Our calculations reveal that thermally excited phason modes give rise to an almost rigid motion of the moiré lattice. Electrons and holes in low-energy states are localized in specific stacking regions of the moiré unit cell and follow the thermal motion of these regions. In other words, charge carriers surf phason waves that are excited at finite temperatures. We also show that such surfing survives in the presence of a substrate and frozen potential. This effect has potential implications for the design of charge and exciton transport devices based on moiré materials.
format Online
Article
Text
id pubmed-10273461
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-102734612023-06-17 Electrons Surf Phason Waves in Moiré Bilayers Maity, Indrajit Mostofi, Arash A. Lischner, Johannes Nano Lett [Image: see text] We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe(2)/WSe(2) heterobilayer using a combination of classical molecular dynamics and ab initio density functional theory calculations. Our calculations reveal that thermally excited phason modes give rise to an almost rigid motion of the moiré lattice. Electrons and holes in low-energy states are localized in specific stacking regions of the moiré unit cell and follow the thermal motion of these regions. In other words, charge carriers surf phason waves that are excited at finite temperatures. We also show that such surfing survives in the presence of a substrate and frozen potential. This effect has potential implications for the design of charge and exciton transport devices based on moiré materials. American Chemical Society 2023-05-26 /pmc/articles/PMC10273461/ /pubmed/37235740 http://dx.doi.org/10.1021/acs.nanolett.3c00490 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Maity, Indrajit
Mostofi, Arash A.
Lischner, Johannes
Electrons Surf Phason Waves in Moiré Bilayers
title Electrons Surf Phason Waves in Moiré Bilayers
title_full Electrons Surf Phason Waves in Moiré Bilayers
title_fullStr Electrons Surf Phason Waves in Moiré Bilayers
title_full_unstemmed Electrons Surf Phason Waves in Moiré Bilayers
title_short Electrons Surf Phason Waves in Moiré Bilayers
title_sort electrons surf phason waves in moiré bilayers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10273461/
https://www.ncbi.nlm.nih.gov/pubmed/37235740
http://dx.doi.org/10.1021/acs.nanolett.3c00490
work_keys_str_mv AT maityindrajit electronssurfphasonwavesinmoirebilayers
AT mostofiarasha electronssurfphasonwavesinmoirebilayers
AT lischnerjohannes electronssurfphasonwavesinmoirebilayers