Publication
Journal of Physical Chemistry
Paper

Size dependence of the structural properties of transition-metal aggregates from an empirical interatomic potential scheme

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Abstract

We apply empirical interatomic potentials (Finnis-Sinclair potentials) to the calculation of the cohesive energy of transition-metal clusters of different sizes, in several structures. The evolution of the cohesive energy and of the structural parameters as a function of the cluster size is analyzed at T = 0. The validity of the Finnis-Sinclair potential for the structural determination of bulk solids and surfaces is also examined. © 1987 American Chemical Society.

Date

01 May 2002

Publication

Journal of Physical Chemistry

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