Interactions in the 8-orbital model for twisted bilayer graphene

M. J. Calderón and E. Bascones
Phys. Rev. B 102, 155149 – Published 29 October 2020

Abstract

We calculate the interactions between the Wannier functions of the 8-orbital model for twisted bilayer graphene (TBG). In this model, two orbitals per valley centered at the AA regions, the AA-p orbitals, account for the most part of the spectral weight of the flats bands. Exchange and assisted-hopping terms between these orbitals are found to be small. Therefore, the low energy properties of TBG will be determined by the density-density interactions. These interactions decay with the distance much faster than in the 2-orbital model, following a 1/r law in the absence of gates. The magnitude of the largest interaction in the model, the onsite term between the flat band orbitals, is controlled by the size of the AA regions and is estimated to be 40 meV. To screen this interaction, the metallic gates have to be placed at a distance 5 nm. For larger distances only the long-range part of the interaction is substantially screened. The model reproduces the band deformation induced by doping found in other approaches within the Hartree approximation. Such deformation reveals the presence of other orbitals in the flat bands and is sensitive to the inclusion of the interactions involving them.

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  • Received 14 August 2020
  • Revised 2 October 2020
  • Accepted 14 October 2020

DOI:https://doi.org/10.1103/PhysRevB.102.155149

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

M. J. Calderón* and E. Bascones

  • Instituto de Ciencia de Materiales de Madrid (ICMM), Consejo Superior de Investigaciones Científicas (CSIC), Sor Juana Inés de la Cruz 3, E-28049 Madrid, Spain

  • *mariaj.calderon@csic.es
  • leni.bascones@csic.es

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Issue

Vol. 102, Iss. 15 — 15 October 2020

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