Stabilized jellium model and structural relaxation effects on the fragmentation energies of ionized silver clusters

TL;DR

This paper compares relaxed and rigid stabilized jellium models to study fragmentation energies of ionized silver clusters, highlighting the importance of relaxation effects in accurately predicting cluster stability and fragmentation behavior.

Contribution

It introduces a comparison between relaxed and rigid stabilized jellium models for calculating fragmentation energies of silver clusters, emphasizing the significance of relaxation effects.

Findings

Relaxed SJM shows significant differences from rigid SJM in some cases.

Relaxed SJM provides better predictions aligned with experimental data.

The model helps predict cluster sizes before fragmentation.

Abstract

Using the stabilized jellium model in two schemes of `relaxed' and `rigid', we have calculated the dissociation energies and the fission barrier heights for the binary fragmentations of singly-ionized and doubly-ionized Ag clusters. In the calculations, we have assumed spherical geometries for the clusters. Comparison of the fragmentation energies in the two schemes show differences which are significant in some cases. This result reveals the advantages of the relaxed SJM over the rigid SJM in dynamical processes such as fragmentation. Comparing the relaxed SJM results and axperimental data on fragmentation energies, it is possible to predict the sizes of the clusters just before their fragmentations.