Excitonic response of AA and AB stacked hBN bilayers

J. C. G. Henriques, B. Amorim, R. M. Ribeiro, and N. M. R. Peres
Phys. Rev. B 105, 115421 – Published 18 March 2022

Abstract

In this paper, we discuss the optical response due to the excitonic effect of two types of hBN bilayers: AB and AA. Understanding the properties of these bilayers is of great utility to the study of twisted bilayers at arbitrary angles since these two configurations correspond to the limit cases of 0 and 60 rotation. To obtain the excitonic response, we present a method to solve a four-band Bethe-Salpeter equation by casting it into a one-dimensional problem, thus greatly reducing the numerical burden of the calculation when compared with strictly two-dimensional methods. We find results in good agreement with ab initio calculations already published in the literature for the AA bilayer, and predict the excitonic conductivity of the AB bilayer, which remains largely unstudied. The main difference in the conductivity of these two types of bilayers is the appearance of a small, yet well-resolved resonance between two larger ones in the AB configuration. This resonance is due to a mainly interlayer exciton, and is absent in the AA bilayer. Also, the conductivity of the AB bilayer is due to both intralayer and interlayer excitons and is dominated by p-states, while intralayer s-states are the relevant ones for the AA configuration, like in a monolayer. The effect of introducing a bias in the AA bilayer is also discussed.

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  • Received 17 January 2022
  • Revised 1 March 2022
  • Accepted 9 March 2022

DOI:https://doi.org/10.1103/PhysRevB.105.115421

©2022 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

J. C. G. Henriques1, B. Amorim1, R. M. Ribeiro1,2, and N. M. R. Peres1,2

  • 1Department and Centre of Physics, University of Minho, Campus of Gualtar, 4710-057 Braga, Portugal
  • 2International Iberian Nanotechnology Laboratory (INL), Avenida Mestre Jose Veiga, 4715-330 Braga, Portugal

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Issue

Vol. 105, Iss. 11 — 15 March 2022

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