Flat bands and gaps in twisted double trilayer graphene

We study the electronic band structure of twisted double trilayer graphene. This system consists of two regularly stacked graphene trilayers rotated by a given angle. We consider two different arrangements for the trilayer units following their stackings: ABA-ABA and ABC-ABC. First-principles calculations at an angle of $13.{1}^{\ensuremath{\circ}}$ show that these two systems are semiconductors with narrow gaps, which result from a reduced symmetry due to the presence of the second trilayer. Next, we use these results to build a tight-binding model to study lower twist angles, which are not accessible to first-principles methods. In both cases, we find that, as the angle decreases, the magnitude of the gap decreases and eventually closes. At the same time, the low-energy bands develop into flat bands. The corresponding magic angle is greater than the values found in twisted bilayer graphene and twisted double bilayer graphene, thus supporting a hypothesis that it should increase as a function of the number of stacked layers in the rotating unit. We also discuss the spatial separation of the electronic states and their hybrization as a function of the twist angle, as well as the behavior of the systems under an external electric field. We find patterns that are reminiscent of the behaviors found in gated ABA and ABC trilayers, such as tunable overlaps or band gaps, respectively.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-02-05
DOI
https://doi.org/10.1103/physrevb.111.075111
Citations
1
Primary Topic
Graphene research and applications
Type
article
Field-Weighted Citation Impact
0.52

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article

Flat bands and gaps in twisted double trilayer graphene

F. J. Culchac, Rafael Del Grande, Marcos G. Menezes, Rodrigo B. Capaz
1 citations
Physical review. B./Physical review. B
Graphene research and applications
0.52
article

Flat bands and gaps in twisted double trilayer graphene

F. J. Culchac, Rafael Del Grande, Marcos G. Menezes, Rodrigo B. Capaz
article en
1 citations

Abstract

We study the electronic band structure of twisted double trilayer graphene. This system consists of two regularly stacked graphene trilayers rotated by a given angle. We consider two different arrangements for the trilayer units following their stackings: ABA-ABA and ABC-ABC. First-principles calculations at an angle of $13.{1}^{\ensuremath{\circ}}$ show that these two systems are semiconductors with narrow gaps, which result from a reduced symmetry due to the presence of the second trilayer. Next, we use these results to build a tight-binding model to study lower twist angles, which are not accessible to first-principles methods. In both cases, we find that, as the angle decreases, the magnitude of the gap decreases and eventually closes. At the same time, the low-energy bands develop into flat bands. The corresponding magic angle is greater than the values found in twisted bilayer graphene and twisted double bilayer graphene, thus supporting a hypothesis that it should increase as a function of the number of stacked layers in the rotating unit. We also discuss the spatial separation of the electronic states and their hybrization as a function of the twist angle, as well as the behavior of the systems under an external electric field. We find patterns that are reminiscent of the behaviors found in gated ABA and ABC trilayers, such as tunable overlaps or band gaps, respectively.

Physical review. B./Physical review. BVol. 111(7)
Universidade Federal do Rio de Janeiro (BR), University of California, Merced (US), Laboratório Nacional de Nanotecnologia, Universidad del Valle (CO)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Openalex Percentile: Top 42%
Graphene research and applications
0.52
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Flat bands and gaps in twisted double trilayer graphene — F. J. Culchac, Rafael Del Grande, et al. · Physical review. B./Physical review. B (2025) | TGRS Research Map | TGRS