Influence of dynamics on magic numbers for silicon clusters

A.R. Porter; R.W. Godby

Influence of dynamics on magic numbers for silicon clusters

Physics

Research output: Working paper › 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.

Original language	English
Pages	1-12
Number of pages	11
Publication status	Published - 1997

Bibliographical note

Access to Document

godby_front_page7.pdf

http://arxiv.org/abs/physics/9711005

Cite this

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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.",

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BT - Influence of dynamics on magic numbers for silicon clusters

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