Many-body embedded-atom potential for describing the energy and angular distributions if Rh atoms desorbed from ion-bombarded Rh{111}
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Authors
Garrison, B.J.
Winograd, N.
Deaven, D.M.
Reimann, C.T.
Lo, D.Y.
Tombrello, T.A.
Harrison, D.E. Jr.
Shapiro, M.H.
Subjects
Advisors
Date of Issue
1988-05-01
Date
Publisher
American Physical Society
Language
Abstract
In 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 many-body potential is constructed using the embedded-atom method to describe equilibrium properties of the crystal, parameters from the Moliere potential to describe close encounters between energized atoms, and parameters from a Rh(2) potential to aid the description of the desorption event. The most dramatic difference between the many-body potential and the pair potential is in 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. Variations of the many-body potential parameters are examined in order to ascertain their effect on the predicted energy and singular distributions. A specific set of parameters has been found which leads to excellent agreement with recent experimental trajectory measurement of desorbed Rh atoms.
Type
Article
Description
Series/Report No
Department
Physics and Chemistry
Organization
Naval Postgraduate School (U.S.)
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NPS Report Number
Sponsors
Funder
Format
8 p.
Citation
Physical Review B, v. 37, no. 13, May 1, 1988, pp. 7197-7203
Distribution Statement
Approved for public release; distribution is unlimited.
Rights
This publication is a work of the U.S. Government as defined in Title 17, United States Code, Section 101. Copyright protection is not available for this work in the United States.