Global Minima for Transition Metal Clusters Described by Sutton-Chen Potentials

TL;DR

This paper identifies the most stable structures of small transition metal clusters modeled by Sutton-Chen potentials using Monte Carlo minimization, providing insights aligned with experimental and theoretical data.

Contribution

It reports the global minima structures for metal clusters with fewer than 81 atoms modeled by Sutton-Chen potentials, a novel computational exploration.

Findings

Identified global minima for N<81 transition metal clusters.

Structures align well with experimental and theoretical data.

Provides a comprehensive set of stable configurations for further study.

Abstract

Using a Monte Carlo minimization approach we report the global minima for metal clusters modelled by the Sutton-Chen family of potentials with N<81, where N is the number of atoms. The resulting structures are discussed in the light of both experimental and theoretical data for clusters of the appropriate elements.