Exciton-driven Floquet engineering from first principles.

Authors

Ruipeng Li, Benshu Fan, Umberto De Giovannini, Hannes Hübener, Angel Rubio

Published in

npj quantum materials. Volume 11. Issue 1. Pages 95. Epub Oct 28, 2026.

Abstract

Floquet engineering uses periodic driving to tailor electronic structures and material properties out of equilibrium. Excitons offer a distinct route to this control: their electron-hole dynamics can act as an internal drive, enabling Floquet engineering beyond direct laser dressing. A microscopic description of this regime requires simultaneous access to excitonic dynamics and their momentum-resolved photoemission signatures, which remains challenging in realistic materials. Here we develop an efficient first-principles framework combining real-time time-dependent density functional theory with a modified long-range-corrected exchange-correlation kernel, Floquet-band analysis, and time- and angle-resolved photoemission simulations. Using monolayer hexagonal boron nitride as a benchmark, we capture a subgap excitonic resonance and show that the resulting oscillatory excitonic field generates clear Floquet sidebands and band renormalization, even without temporal overlap between pump and probe pulses. Our approach establishes a practical and computationally efficient route for predicting nonequilibrium Floquet phenomena driven by collective excitations in quantum materials.

PMID:
42964151
Bibliographic data and abstract were imported from PubMed on 31 Oct 2026.

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