Non-linearities in the electronic stopping power of light projectiles in bulk Al and LiF are addressed from first principles using time-evolving time-dependent density functional theory. In the case of Al, the agreement of the calculations with experiments for H and He projectiles is fair, but a recently observed transition for He from one value of the electronic friction coefficient to a higher value at v ~ 0.3 a.u. is not reproduced by the calculations. For LiF, better accuracy is obtained as compared with previously published simulations, albeit the threshold remains overestimated.
|Journal||Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms|
|Early online date||02 Jan 2013|
|Publication status||Published - 15 May 2013|
Bibliographical noteCopyright 2013 Elsevier B.V., All rights reserved.
Zeb, M. A., Kohanoff, J., Sánchez-Portal, D., & Artacho, E. (2013). Electronic stopping power of H and He in Al and LiF from first principles. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 303, 59-61. https://doi.org/10.1016/j.nimb.2012.12.022