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DOE OSTI · 3363542

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

Tan, Liang Z. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000347246369)·Andrade, Xavier [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000020416637X)·Rajpurohit, Sangeeta [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]·Correa, Alfredo A. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000297187099)·Ogitsu, Tadashi [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000024838976X)
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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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2-dimensional systemsMaterials sciencePhotocurrentPhysics - Condensed matter physicsTime-dependent DFT

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Tan, Liang Z. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000347246369), Andrade, Xavier [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000020416637X), Rajpurohit, Sangeeta [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)], Correa, Alfredo A. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000297187099), Ogitsu, Tadashi [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:000000024838976X). 2026-03-11. Dynamics of ballistic photocurrents driven by Coulomb scattering in a two-dimensional material. https://doi.org/10.1103/nvfh-nybb

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