A full-potential linear-muffin-tin-orbital molecular-dynamics study on thedistorted cage structures of Si-60 and Ge-60 clusters

Using a full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMT O-MD) method, we have performed calculations on the structures and the bind ing energies of Si-60 and Ge-60 clusters. The results calculated suggest th at the stable structures for Si-60 and Ge-60 clusters are both distorted tr uncated icosahedral with Th symmetry. Their fullerene cage structures remai n, but they look like puckered balls. Four distinct Si-Si bond lengths in S i-60, three distinct Ge-Ge bond lengths in Ge-60, and lower T-h symmetry ma ke the two structures different from that with I-h symmetry and two C-C bon d lengths in C-60.