Secondary-electron emission from first principles

ORAL

Abstract

Multi-length and time-scale relaxation processes connect non-equilibrium excited electrons in a target material after ion or electron irradiation with characteristic properties when they are emitted as secondary electrons. The focus will be on graphene as a prototypical two-dimensional material for which I will discuss the regimes of high electron and lattice temperatures. Our simulations show that lattice temperature significantly increases secondary electron emission, whereas electron temperature has a negligible effect. I will discuss the early stages, in which secondary electrons emitted within a few femto-seconds after ion impact can be of use as high-resolution thermalization probes. The classical and quantum mechanical regime of projectile electrons will be derived from real-time time-dependent density functional theory simulations.

*We thank Zhihao Jiang, Richard Arthur Wilhelm, and Anna Niggas for valuable scientific discussions. This material is based upon work supported by the National Science Foundation under Grant Nos. OAC-2209857 and OAC-1740219 and by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) Project No. 278162697-SFB 1242. A.S. acknowledges support by the Mercator Fellow Program of SFB 1242. A.K. was partially supported by the US Department of Energy Science Campaign 1 and Sandia National Laboratories' Laboratory Directed Research and Development (LDRD) Project No. 233196. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. This work made use of the Illinois Campus Cluster, a computing resource that is operated by the Illinois Campus Cluster Program (ICCP) in conjunction with the National Center for Supercomputing Applications (NCSA) and which is supported by funds from the University of Illinois at Urbana–Champaign.

Presenters

  • Andre Schleife

    • University of Illinois at Urbana-Champaign

Authors

  • Andre Schleife

    • University of Illinois at Urbana-Champaign