Werl, M., Koller, R., Haidegger, P., Niggas, A., Tőkési, K., Aumayr, F., & Wilhelm, R. A. (2023, September 13). The hollow atom formation and de-excitation simulation package [Conference Presentation]. 24th International Workshop on Inelastic Ion-Surface Collisions (IISC-24), Charleston, South Carolina, United States of America (the). http://hdl.handle.net/20.500.12708/188394
Hollow atoms (HA) are an exotic species of atoms: They are formed when a highly charged ion approaches a surface and resonantly captures electrons in states with principal quantum number nc roughly equal to its incident charge state q;n ~ nc [1]. The HAs will subsequently de-excite, typically via (auto-ionizing) Auger as weil as radiative pathways.
We present a simulation package where the capture of the electrons is described self-consistently using the classical-over-the-barrier model. The subsequent de-excitation is modelled using rate equations and a Monte-Carlo approach [l,2]. In addition, our code allows to obtain the spectra of the emitted photons as weil as electrons resulting from these de-excitation processes.
However, the dynamics of the formation and de-excitation processes strongly depend on accurate rates for these transitions. Previously, due to constraints in both computational power as weil as general availability of experimental rate data, simple fit-formulas were used. To improve these inputs we use a combination of experimentally available data [3] as weil as the Flexible Atomic Code (FAC) package [4] are used to find an improved and more general fit for future simulations.
The left figure shows an (updated) fit for radiative rates (solid lines) obtained from experimental data (dots) [3]. The right figure shows preliminary data for the auto-ionization rates, computed using the FAC code package [4].