| Issue |
Eur. Phys. J. Appl. Phys.
Volume 98, 2023
Special Issue on ‘Advances in Renewable Energies, Materials and Technology’, edited by Laurene Tetard, Hamid Oughaddou, Abdelkader Kara, Yannick Dappe and Nabil Rochdi
|
|
|---|---|---|
| Article Number | 39 | |
| Number of page(s) | 6 | |
| Section | Nanomaterials and Nanotechnologies | |
| DOI | https://doi.org/10.1051/epjap/2023230060 | |
| Published online | 12 June 2023 | |
https://doi.org/10.1051/epjap/2023230060
Regular Article
Atomic relaxation and electronic structure in twisted bilayer MoS2 with rotation angle of 5.09 degrees
Laboratoire de Physique Théorique et Modélisation, CY Cergy Paris Université, CNRS,
95302
Cergy-Pontoise, France
* e-mail: guy.trambly@cyu.fr
Received:
13
March
2023
Revised:
17
April
2023
Accepted:
27
April
2023
Published online: 12 June 2023
It is now well established theoretically and experimentally that a Moiré pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new electronic states are at the origin of strong electronic correlations and even of unconventional superconductivity. Twisted bilayers (tb) of transition metal dichalcogenides (TMDs) also exhibit flat bands around their semiconductor gap at small rotation angles. In this paper, we present a DFT study to analyze the effect of the atomic relaxation on the low-energy bands of tb-MoS2 with a rotation angle of 5.09°. We show that in-plane atomic relaxation is not essential here, while out-of-plane relaxation dominates the electronic structure. We propose a simple and efficient atomic model to predict this relaxation.
© S. Venkateswarlu et al., Published by EDP Sciences, 2023
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