TY - JOUR
T1 - Electronic stopping power of H and He in Al and LiF from first principles
AU - Zeb, M. Ahsan
AU - Kohanoff, J.
AU - Sánchez-Portal, D.
AU - Artacho, Emilio
N1 - Copyright 2013 Elsevier B.V., All rights reserved.
PY - 2013/5/15
Y1 - 2013/5/15
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?partnerID=yv4JPVwI&eid=2-s2.0-84872683369&md5=f5e03914febc6eb1f7253d890f299978
U2 - 10.1016/j.nimb.2012.12.022
DO - 10.1016/j.nimb.2012.12.022
M3 - Article
VL - 303
SP - 59
EP - 61
JO - Nuclear Instruments & Methods In Physics Research Section B-beam Interactions With Materials And Atoms
JF - Nuclear Instruments & Methods In Physics Research Section B-beam Interactions With Materials And Atoms
SN - 0168-583X
ER -