In this work we study the stabilities of high-symmetry AuN, PdN and N clusters, for N < 1500, using mathematical constructs, a semi-empirical potential with two different parameter sets, and a quasi-Newtonian minimisation technique
2012
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Scholarcy highlights
- In this work we study the stabilities of high-symmetry AuN, PdN andN clusters, for N < 1500, using mathematical constructs, a semi-empirical potential with two different parameter sets, and a quasi-Newtonian minimisation technique
- For PdN clusters, both parameter sets tested result in preferences for icosahedral structures for N < 1000 over other high-symmetry 12-vertex geometries; for AuN clusters we find a tendency towards face-centred cubic structures at values of N lower than seen for PdN: parameter set I of Cleri and Rosato [Cleri and Rosato, Phys
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