Dynamics of ballistic photocurrents driven by Coulomb scattering

ORAL

Abstract

First principles real-time time dependent density functional theory (rt-TDDFT) calculations reveal the existence of ballistic photocurrents generated by Coulomb scattering. These currents arise in non-equilibrium contexts under high fields. With monolayer GeS as an example, it is predicted that ballistic currents can exceed shift currents under experimentally accessible conditions. Moreover, these simulations reveal recombination pathways that work to modify shift current magnitudes beyond perturbation theory predictions.

*Theory and simulation were supported by the Computational Materials Sciences Program funded by the US DOE, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

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Publication: Tan et al., arXiv:2408.06320 (2024)

Presenters

  • Liang Z Tan

    • Lawrence Berkeley National Laboratory

Authors

  • Liang Z Tan

    • Lawrence Berkeley National Laboratory

  • Sangeeta Rajpurohit

    • Lawrence Berkeley National Laboratory

  • Xavier Andrade

    • Lawrence Livermore National Laboratory

  • Alfredo A Correa

    • Lawrence Livermore Natl Lab

  • Tadashi Ogitsu

    • Lawrence Livermore National Laboratory