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Electronic stopping power of H and He in Al and LiF from first principles

AuthorsAhsan Zeb, M.; Kohanoff, J.; Sánchez-Portal, Daniel ; Artacho, Emilio
KeywordsElectronic stopping power
Time dependent density functional theory
Energy loss
Ehrenfest dynamics
Issue Date2013
CitationNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 303: 59-61 (2013)
AbstractNon-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. © 2013 Elsevier B.V. All rights reserved.
Identifiersdoi: 10.1016/j.nimb.2012.12.022
issn: 0168-583X
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