SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 67: Poster Session V: Ultrafast electron dynamics at surface and interfaces I
O 67.6: Poster
Mittwoch, 3. März 2021, 10:30–12:30, P
Energy transfer during resonant neutralization of hyperthermal protons at an aluminum surface studied with time-dependent density functional theory — •Lukas Deuchler and Eckhard Pehlke — Christian-Albrechts-Universität Kiel
Knowledge about the charge and energy transfer between an ion and a surface is crucial for the description of the plasma-surface interaction. In the present work, we report results from TDDFT based Ehrenfest molecular dynamics (MD) simulations for energy and charge transfer for a proton (H+) with initial kinetic energy 2 eV−50 eV incident normally on an Al(111) surface [1]. Simulations have been performed with the Octopus code [2]. The Al-surface is represented by an Al-cluster.
As pointed out by Winter [3], energy and angle shifts observed in the energy distribution of the scattered projectile should provide a means to experimentally estimate the neutralization distance. In this poster, we present the difference in initial kinetic energy between an H+ and an H0 projectile which is required to yield identical exit velocities of the H after neutralization. Notably, this difference changes sign within the studied range of kinetic energies.
[1] L. Deuchler and E. Pehlke, Phys Rev B 102, 235421 (2020).
[2] X. Andrade et al., Phys. Chem. Chem. Phys. 17, 31371 (2015).
[3] H. Winter, J. Phys.: Condens. Matter 8, 10149 (1996).