Abstract
Using the full-potential linear-muffin-tin-orbital molecular-dynamics method based on the single-parent evolution algorithm, we have studied the stability for the medium-sized neutral, anionic, and cationic silicon clusters in detail. We have found the ground state structures of ${\mathrm{Si}}_{n}$ $(n=26--30)$. Our calculated results suggest that the compact structures containing interior atoms begin to compete for the ground state structures with the stacked prolate structures from $n=24$. The prolate structures transit into the spherical compact structures at $n=27$ for neutral silicon clusters, whereas the transition size occurs at $n=28$ for anionic and cationic silicon clusters. Starting from $n=29$, the stable structures with larger binding energies are basically the compact spherical structures. The results are in excellent agreement with the related experiments.
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