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A molecular dynamics study of Cu dimer sputtering mechanisms

Shapiro, M. H. and Tombrello, T. A. (1994) A molecular dynamics study of Cu dimer sputtering mechanisms. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 84 (4). pp. 453-464. ISSN 0168-583X. https://resolver.caltech.edu/CaltechAUTHORS:20141020-111341848

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Abstract

Molecular dynamics simulations were used to investigate the mechanisms responsible for the sputtering of dimers from Cu(100) and Cu(111) surfaces following bombardment by normally incident, 5 keV Ar^+ ions. Simulations were carried out using both a pair-potential and a many-body, embedded-atom potential to describe the Cu-Cu interaction. Computer animation techniques which allowed visual inspection of individual dimer trajectories were used to identify the mechanisms responsible for dimer ejection. In the pair-potential simulations dimers accounted for about 5% of the sputtering yield from both the (100) and (111) surfaces, while in the embedded-atom simulations dimers accounted for approximately 2% of the yield from the (100) and (111) surfaces. Three mechanisms were found to be responsible for the bulk of the dimer ejection events. Direct ejection of intact dimers and recombination in or near the surface were the most prevalent mechanisms observed. Less frequent, but still significant numbers of “push-stick” events were also seen. The simulations suggest that the sputtering of dimers is the result of competing mechanisms that take place preferentially towards the later phase of collision cascades that produce relatively large numbers of sputtered atoms.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1016/0168-583X(94)95340-6 DOIArticle
http://www.sciencedirect.com/science/article/pii/0168583X94953406PublisherArticle
Additional Information:© 1994 Elsevier Science B.V. Received 22 February 1993 and in revised form 14 October 1993. Supported in part by SF Grant DMR90-11230 at Caltech, and by NSF Grant DMR90-02532 at CSUF. The authors thank Barbara Garrison and Klaus Franzreb for helpful conversations. We also thank them and Andreas Wucher for providing copies of their work prior to publication.
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Funding AgencyGrant Number
NSFDMR90-11230
NSFDMR90-02532
Issue or Number:4
Record Number:CaltechAUTHORS:20141020-111341848
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20141020-111341848
Official Citation:M.H. Shapiro, T.A. Tombrello, A molecular dynamics study of Cu dimer sputtering mechanisms, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Volume 84, Issue 4, 1 March 1994, Pages 453-464, ISSN 0168-583X, http://dx.doi.org/10.1016/0168-583X(94)95340-6. (http://www.sciencedirect.com/science/article/pii/0168583X94953406)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:50551
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:20 Oct 2014 18:27
Last Modified:03 Oct 2019 07:24

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