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Exciton-Polaritons and Exciton Localization from a First-Principles Interacting Green’s Function Formalism

Zachary N. Mauri1,*, Christopher J. Ciccarino1,*, Jonah B. Haber1, Diana Y. Qiu2, and Felipe H. da Jornada1,3,†

  • *These authors contributed equally to this work.
  • †Contact author: jornada@stanford.edu

Phys. Rev. Lett. 136, 206904 – Published 22 May, 2026

DOI: https://doi.org/10.1103/j591-6f6f

Abstract

We present an ab initio formalism based on the Bethe-Salpeter equation (BSE) to describe exciton-polaritons, capturing photonic and matter components on the same footing and obtaining polariton dispersions at the same cost as standard, static BSE calculations. We show in MgO that, near the light cone, the Bohr radii of excitons dramatically shrink by 50% while retaining primarily (>75%) excitonic character. Our calculations agree well with experiments in CdS and can capture drastic changes in the exciton wave function in structurally complex materials, including crystalline pentacene.

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