A Tersoff potential for clusters. A proposal for a single-binding relation

1997 EDP Sciences
, , Citation A. M. Mazzone 1997 EPL 37 245 DOI 10.1209/epl/i1997-00138-7

0295-5075/37/4/245

Abstract

The purpose of this work is to show that, at least from a pragmatic point of view, a general formulation of bonding is possible for clusters of different structure and composition. An ad hoc version of the Tersoff potential has been found to fulfill this requirement and this study compares and contrasts the structure of H, Al and Sn clusters obtained from quantum-mechanical methods with the one obtained from this general Tersoff potential.

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10.1209/epl/i1997-00138-7