A many-body embedded atom potential for describing ejection of atoms from surfaces
Garrison, B. J.; Walzl, K.; El-Maazawi, M.; Winograd, N.; Reimann, C. T.; Deaven, D. M.; Garrison, B. J.; Department of Chemistry, The Pennsylvania State University; Walzl, K.; Department of Chemistry, The Pennsylvania State University; El-Maazawi, M.; Department of Chemistry, The Pennsylvania State University; Winograd, N.; Department of Chemistry, The Pennsylvania State University; Reimann, C. T.; Department of Chemistry, The Pennsylvania State University; Naval Research Laboratory; Deaven, D. M.; Department of Chemistry, The Pennsylvania State University; Department of Physics, University of California at Berkeley
Журнал:
Radiation Effects and Defects in Solids
Дата:
1989
Аннотация:
AbstractIn this paper, we show that many-body interactions are important for describing the energy- and angle-resolved distributions of neutral Rh atoms ejected from keV-ion-bombarded Rh{111}. We compare separate classical-dynamics simulations of the sputtering process assuming either a many-body potential or a pairwise additive potential. The most dramatic difference between the many-body potential and the pair potential is the predicted kinetic energy distributions. The pair-potential kinetic energy distribution peaks at ∼ 2 eV, whereas the many-body potential predicts a broader peak at ∼ 4 eV, giving much better agreement with experiment. This difference between the model potentials is due to the predicted nature of the attractive interaction in the surface region through which all ejecting particles pass.
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