Phonon-assisted luminescence in qubits from many-body perturbation theory

ORAL

Abstract

Phonon-assisted luminescence is a key property of defect centers in semiconductors, and can be measured to perform the readout of the information stored in a quantum bit, or to detect temperature variations. The investigation of phonon-assisted luminescence usually employs phenomenological models, such as that of Huang and Rhys, with restrictive assumptions that can fail to be predictive. In this work, we predict luminescence and study exciton-phonon couplings within a rigorous many-body perturbation theory framework, an analyisis that has never beenperformed for defect centers. In particular, we study the optical emission of the negatively-charged boron vacancy in 2D hexagonal boron nitride, which currently stands out among defect centers in 2D materials thanks to its promise for applications in quantum information and quantum sensing. We show that phonons are responsible for the observed luminescence, which otherwise would bedark due to symmetry. We also show that the symmetry breaking induced by the static Jahn-Teller effect is not able to describe the presence of the experimentally observed peak at 1.5 eV.

*This project has received funding from the European union's Horizon 2020 research and innovation program under the Marie Sklodowska Curie grant agreement No 754354 and was supported by the NCCR MARVEL, funded by the Swiss National Science Foundation. MJV and PMMC were funded by the Fonds de la Recherche Scientifique (FRS-FNRS Belgium) through PdR GrantNo. T.0103.19 - ALPS. Simulation time was awarded by PRACE on Marconi at Cineca, Italy (project id. 2016163963) and by PRACE optospinon Mare Nostrum at Barcelona Supercomputing center, Spain (project id. 2020225411). Zeila Zanolli and Pedro Miguel M. C. de Melo acknowledge financial support by the Netherlands Sector Plan program 2019-2023. Matthieu Jean Verstraete acknowledges funding from Federation Wallonie Bruxelles through Actions de Recherches Concert ´ees project DREAMS g.a. ARC 21/25-11

Presenters

  • Francesco Libbi

    • Ecole Polytechnique Federale de Lausanne

Authors

  • Francesco Libbi

    • Ecole Polytechnique Federale de Lausanne
  • Pedro M Melo

    • Univ of Utrecht
  • Zeila Zanolli

    • Forschungszentrum Jülich GmbH
  • Matthieu J Verstraete

    • University of Liege
  • Nicola Marzari

    • Ecole Polytechnique Federale de Lausanne
    • Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne