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Three-dimensional real-space electron dynamics in graphene driven by strong laser fields

Siyuan Li1,*, Mizuki Tani2, Arqum Hashmi1, and Kenichi L. Ishikawa1,3,4,5,†

  • 1Department of Nuclear Engineering and Management, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
  • 2Kansai Institute for Photon Science, National Institutes for Quantum Science and Technology (QST), 8-1-7 Umemidai, Kizugawa, Kyoto 619-0215, Japan
  • 3Photon Science Center, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
  • 4Research Institute for Photon Science and Laser Technology, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
  • 5Institute for Attosecond Laser Facility, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan

  • *Contact author: li-siyuan@g.ecc.u-tokyo.ac.jp
  • †Contact author: ishiken@n.t.u-tokyo.ac.jp
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Phys. Rev. B 113, 235401 – Published 1 June, 2026

DOI: https://doi.org/10.1103/5kl5-kgz4

Abstract

We theoretically investigate the three-dimensional (3D) electron dynamics of graphene in real space under strong laser fields using time-dependent density functional theory (TDDFT). We successfully reproduce the reversal of current direction originating from the cancellation of two oppositely directed residual currents, as previously predicted by [Y. Morimoto et al., New J. Phys. 24, 033051 (2022)]. By distinguishing contributions from individual orbitals, our results validate the two-level system approximation and also emphasize that the first-principles approach agrees better with experimental results for light-driven residual current, especially in extremely strong fields. Furthermore, our 3D model reveals that the real-space atomic-scale current induced by strong laser fields is concentrated slightly above and below the graphene basal plane, rather than strictly within it. The two oppositely directed currents exhibit a pronounced height separation in the out-of-plane direction, indicating that the ring current is not confined to the graphene plane but forms a rotating 3D circulation loop, which is absent in the reduced-dimensional model.

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Phys. Rev. B 113, 235401– Published 1 June, 2026
  • Received 8 February 2026
  • Revised 26 April 2026
  • Accepted 8 May 2026
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