Structures and dynamical properties of Cn, Sin, Gen, and Snn clusters with n up to 13

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Abstract
Car-Parrinello molecular dynamics simulated annealings were carried out for clusters Sin, Gen, and Snn (n<~13). We investigate the temperature regions in which these clusters transform from a “liquidlike” phase to a “solidlike” phase, and then from the “solidlike” phase to the ground-state structures. Additional simulated annealing was also performed for the cluster C13 which is selected as a prototype of small carbon clusters. In addition to the discovery of structures for Sn and Ge clusters, our simulation results also provide insights into the dynamics of cluster formation.

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