IONIZATION-INDUCED FRAGMENTATION OF SMALLHgnCLUSTERS: A MOLECULAR DYNAMICS STUDY

D. Reichardt, M.E. Garcia and K.H. Bennemann
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D. Reichardt: Walther-Nernst Institut für Physikalische und Theoretische Chemie, Humboldt Universität zu Berlin, Bunsenstr. 1, 10117 Berlin, Germany
M.E. Garcia: Institut für Theoretische Physik der Freien Universität Berlin, Arnimallee 14, 14195 Berlin, Germany
K.H. Bennemann: Institut für Theoretische Physik der Freien Universität Berlin, Arnimallee 14, 14195 Berlin, Germany

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 567-571

Abstract: The time evolution of smallHgnclusters immediately after ionization is studied by performing molecular dynamics simulations for different cluster sizes and different initial cluster structures. The potential-energy surface and the forces are determined self-consistently from a microscopic electronic theory, which takes into account the interplay between delocalization of the hole and polarization energy. We study the energy-transfer processes within the cluster and also estimate melting and fragmentation times for some particular cases. The short-time behavior of the kinetic energy, charge and dipole distributions is analyzed. The role of the initial temperature of the clusters is discussed.

Date: 1996
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DOI: 10.1142/S0218625X96001029

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