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Real-Time GW: Toward an Ab Initio Description of the Ultrafast Carrier and Exciton Dynamics in Two-Dimensional Materials

E. Perfetto, Y. Pavlyukh, and G. Stefanucci
Phys. Rev. Lett. 128, 016801 – Published 4 January 2022
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Abstract

We demonstrate the feasibility of the time-linear scaling formulation of the GW method [Phys. Rev. Lett. 124, 076601 (2020)] for ab initio simulations of optically driven two-dimensional materials. The time-dependent GW equations are derived and solved numerically in the basis of Bloch states. We address carrier multiplication and relaxation in photoexcited graphene and find deviations from the typical exponential behavior predicted by the Markovian Boltzmann approach. For a resonantly pumped semiconductor we discover a self-sustained screening cascade leading to the Mott transition of coherent excitons. Our results draw attention to the importance of non-Markovian and dynamical screening effects in out-of-equilibrium phenomena.

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  • Received 30 September 2021
  • Accepted 18 November 2021

DOI:https://doi.org/10.1103/PhysRevLett.128.016801

© 2022 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

E. Perfetto1,2, Y. Pavlyukh1, and G. Stefanucci1,2

  • 1Dipartimento di Fisica, Università di Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy
  • 2INFN, Sezione di Roma Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy

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Issue

Vol. 128, Iss. 1 — 7 January 2022

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