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Flat bands and electronic localization in twisted bilayer graphene nanoribbons

Elias Andrade, Pierre A. Pantaleón, Francisco Guinea, and Gerardo G. Naumis
Phys. Rev. B 108, 235418 – Published 13 December 2023

Abstract

We analyze the electronic structure of twisted bilayer graphene (TBG) nanoribbons close to the magic angle. We describe a transition from an incomplete to a complete moiré structure. By considering zigzag and armchair edge terminations, the low-energy bands are strongly modified, and thus, the edge flat-band localization is sensitive to the type of boundary. By means of a scaled tight-binding model, we calculate the band structure and find that, for an armchair configuration, an incomplete moiré edge suppresses the edge localization, while for a zigzag configuration, we find a strong interference of the edge states with the moiré bands. In particular, for the armchair termination, we observe a competition between the ribbon periodicity and the graphene monolayers, which we describe with a potential well toy model. Furthermore, for ribbons with widths of multiple moiré cells, the flat bands of the moirés in the bulk are unperturbed as we change the borders. These results are explained in terms of the strong electronic localization, nearly Gaussian, in the AA stacking regions, as confirmed by an inverse participation ratio analysis. Our results demonstrate that the electronic structure of TBG nanoribbons is sensitive to the edge termination, offering an explanation for recent experimental results.

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  • Received 18 September 2023
  • Revised 22 November 2023
  • Accepted 27 November 2023

DOI:https://doi.org/10.1103/PhysRevB.108.235418

©2023 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Elias Andrade1,*, Pierre A. Pantaleón2, Francisco Guinea2,3,4, and Gerardo G. Naumis5,†

  • 1Posgrado en Ciencias Físicas, Instituto de Física, Universidad Nacional Autónoma de México (UNAM). Apdo. Postal 20-364, 01000 México D.F., México
  • 2IMDEA Nanoscience, Faraday 9, 28049 Madrid, Spain
  • 3Donostia International Physics Center, Paseo Manuel de Lardizábal 4, 20018 San Sebastián, Spain
  • 4Ikerbasque, Basque Foundation for Science, 48009 Bilbao, Spain
  • 5Departamento de Sistemas Complejos, Instituto de Física, Universidad Nacional Autónoma de México (UNAM). Apdo. Postal 20-364, 01000 México D.F., México

  • *eandrade@estudiantes.fisica.unam.mx
  • naumis@fisica.unam.mx

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Issue

Vol. 108, Iss. 23 — 15 December 2023

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