Structural transitions of tin clusters: Snn (n = 34–44)

Snn (n = 34–44) clusters were studied using a combined method of the genetic algorithm/tight-binding search and the DFT–PBEPBE calculations. Snn (n = 34–44) clusters are shown to favor an assembly motif composed of small stable Sn9 and Sn10 subunits which are connected by cohesive linkages of smaller clusters (Sn1–5). Snn (n = 34–44) clusters were found to transform from a prolate pattern for Sn34,35 to a ‘Y’ pattern for Sn36–39 to a plate motif for Sn40–44. Obvious structural transitions would easily occur at the cross points of binding energy curves when isomers become competitive.