Porter, A.R. and Godby, R.W. orcid.org/0000-0002-1012-4176 (1997) Influence of dynamics on magic numbers for silicon clusters. [Preprint]
Abstract
We present the results of over 90 tight-binding molecular-dynamics simulations of collisions between three- and five-atom silicon clusters, at a system temperature of 2000K. Much the most likely products are found to be two 'magic' four-atom clusters. We show that previous studies, which focused on the equilibrium binding energies of clusters of different sizes, are of limited relevance, and introduce a new effective binding energy which incorporates the highly anharmonic dynamics of the clusters. The inclusion of dynamics enhances the magic nature of both Si4 and Si6 and destroys that of Si7.
Metadata
Item Type: | Preprint |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 1997. Published in arXiv and uploaded in accordance with the publisher's self archiving policy. |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) |
Depositing User: | Pure (York) |
Date Deposited: | 08 Jun 2023 23:14 |
Last Modified: | 23 Jan 2025 00:43 |
Status: | Published |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:200161 |