Dynamics of ballistic photocurrents driven by Coulomb scattering in a two-dimensional material

Liang Z. Tan; Xavier Andrade; Sangeeta Rajpurohit; Alfredo A. Correa; Tadashi Ogitsu

doi:10.1103/nvfh-nybb

Dynamics of ballistic photocurrents driven by Coulomb scattering in a two-dimensional material

Liang Z. Tan ¹, Xavier Andrade ², Sangeeta Rajpurohit¹, Alfredo A. Correa ², and Tadashi Ogitsu ²

¹Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
²Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, California 94551, USA

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Phys. Rev. B 113, 104304 – Published 11 March, 2026

DOI: https://doi.org/10.1103/nvfh-nybb

Abstract

First-principles real-time time-dependent density-functional theory (rt-TDDFT) calculations reveal the existence of ballistic photocurrents generated by Coulomb scattering, which has not previously been considered as a mechanism for the bulk photovoltaic effect. With monolayer GeS as an example, it is predicted that ballistic currents can be comparable to shift currents under experimentally accessible conditions.

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Dynamics of ballistic photocurrents driven by Coulomb scattering in a two-dimensional material

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Dynamics of ballistic photocurrents driven by Coulomb scattering in a two-dimensional material

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