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Electronic correlation effects in the stopping power of ions in 2D materials

POSTER

Abstract

The energy loss of charged projectiles in correlated materials is of prime relevance for plasma-surface interaction for which we have developed a nonequilibrium Green functions (NEGF) approach. A particularly interesting effect is the correlation induced increase of stopping power at low velocities [1]. However, NEGF simulations are possible only for short time durations, due to the unfavorable Nt3 scaling with the number of discretization time steps. The situation has changed radically with the recently developed G1-G2 scheme [2], which is based on the generalized Kadanaoff-Baym ansatz in combination with Hartree-Fock propagators, and allows to achieve linear scaling with Nt. This enhancement enables us to improve previous simulations by using better selfenergies [3], studying larger systems and by extending the simulation duration which gives access to slower projectiles. Finally, we will report further improvements of the G1-G2 scheme itself, by taking into account three-particle correlations.

[1] K. Balzer et al., Phys. Rev. Lett. 121, 267602 (2018)
[2] N. Schluenzen et al., Phys. Rev. Lett. 124, 076601 (2020)
[3] J.-P. Joost et al., Phys. Rev. B 101, 245101 (2020)

Presenters

  • Franziska Reiser

    University of Kiel

Authors

  • Franziska Reiser

    University of Kiel

  • Lotte Borkowski

    University of Kiel

  • Niclas Schlünzen

    ITAP, University of Kiel, University of Kiel, Institute of Theoretical Physics and Astrophysics, Kiel University, Germany, Univ Kiel, CAU Kiel, Germany

  • Jan-Philip Joost

    ITAP, University of Kiel, University of Kiel, Institute of Theoretical Physics and Astrophysics, Kiel University, Germany, Univ Kiel, CAU Kiel, Germany

  • Michael Bonitz

    Kiel University, ITAP, University of Kiel, University of Kiel, Institute of Theoretical Physics and Astrophysics, Kiel University, Germany, Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität zu Kiel, Univ Kiel, CAU Kiel, Germany