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Dispersion model for the optical absorption of two-dimensional materials

  • K. Lizárraga
  • , Cesar E.P. Villegas
  • , E. Serquen
  • , Hsiang Lin Liu
  • , J. A. Guerra
  • , A. R. Rocha
  • , P. Venezuela
  • Universidade Federal Fluminense
  • National Taiwan Normal University
  • Pontificia Universidad Católica del Perú
  • Universidade Estadual Paulista Júlio de Mesquita Filho

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The optical response of two-dimensional systems is strongly influenced by tightly bound excitons. Despite its relevance in helping predict device performance, the current derivation of the two-dimensional Elliott equation is rarely used to estimate exciton binding energy and band gap in these systems, primarily due to its lack of an analytical form and the complexity introduced by substrate interactions. In this work, we present a new approach based on optical absorption measurements via an extended Elliott band fluctuations model, which notably provides analytical expressions for isotropic systems. Our method accurately captures the optical absorption near the band edge, fully incorporating spin–orbit band splitting and substrate effects via the Keldysh effective potential. It also includes the influence of surface and interface contributions to the dielectric environment, which give rise to localized defect-related absorption features. We apply this approach to key transition metal dichalcogenides (MoS2, MoSe2, WS2, andWSe2) exhibiting small and large spin-orbit band splitting, on various substrates and over a broad temperature range. The results show good agreement with magnetoabsorption and photoluminescence measurements, allowing for an accurate description of excitonic properties using only optical measurements and is readily extendable to other 2D isotropic materials.

Original languageEnglish
Article number045410
Pages (from-to)1-12
Number of pages12
JournalPhysical Review B
Volume113
Issue number4
DOIs
StatePublished - 7 Jan 2026

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