** Reference to paper:

https://link.aps.org/doi/10.1103/PhysRevB.102.155130

** DOI:

10.1103/PhysRevB.102.155130

** Title:

Electronic friction coefficients from the atom-in-jellium model for Z=1-92

** Authors:

Gerrits, Nick; Iñaki, Juaristi; Meyer, Jörg

** Contact e-mail:

n.gerrits@lic.leidenuniv.nl
j.meyer@chem.leidenuniv.nl

** Abstract:

The breakdown of the Born-Oppenheimer approximation is an important topic in chemical dynamics on metal surfaces.
In this context, the most frequently used work horse is electronic friction theory, commonly relying on friction coefficients obtained from density-functional theory calculations from the early '80s based on the atom-in-jellium model.
However, results are only available for a limited set of jellium densities and elements (Z=1-18).
In this paper, these calculations are revisited by investigating the corresponding friction coefficients for the entire periodic table (Z=1-92).
Furthermore, friction coefficients obtained by including the electron density gradient on the generalized gradient approximation level are presented.
Finally, we show that spin polarization and relativistic effects can have sizable effects on these friction coefficients for some elements.

** Description per file:

All files to generate a figure are inside the corresponding folder (i.e., Figure*).
All figures have been generated with GNUplot v5.2 patchlevel 2.
Note that all electronic friction coefficients shown in the paper have been reported in the SI as well.
For access to the program that has been developed to perform the calculations, please contact both corresponding authors.