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

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 rec...

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Veröffentlicht in:Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms Beam interactions with materials and atoms, 2013-05, Vol.303, p.59-61
Hauptverfasser: Zeb, M. Ahsan, Kohanoff, J., Sánchez-Portal, D., Artacho, Emilio
Format: Artikel
Sprache:eng
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Zusammenfassung: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∼0.3a.u. is not reproduced by the calculations. For LiF, better accuracy is obtained as compared with previously published simulations, albeit the threshold remains overestimated.
ISSN:0168-583X
1872-9584
DOI:10.1016/j.nimb.2012.12.022