Identifying structural patterns in `disordered' metal clusters

TL;DR

This paper identifies the global minimum energy structures of zinc and cadmium clusters up to 124 atoms, revealing many disordered forms but also common structural motifs like distorted oblate Marks decahedra.

Contribution

It systematically locates putative global minima for metal clusters up to size 124, highlighting prevalent disordered structures and specific structural preferences.

Findings

Many clusters lack overall order but have structural preferences.

Distorted oblate Marks decahedra are common in the clusters.

No usual structural forms are lowest in energy.

Abstract

Zinc and cadmium clusters interacting with a Gupta potential have previously been identified as prototypical metallic systems that exhibiting disordered cluster structures. Here, putative global minima of the potential energy have been located for these clusters for all sizes up to N<125. Although none of the usual structural forms are lowest in energy and many of the clusters have no overall order, strong structural preferences have been identified.Many of the clusters are based on distorted oblate Marks decahedra, where the distortion involves the bringing together of atoms on either side of a re-entrant groove of the Marks decahedron.