Abstract
We show using ab initio electronic structure calculations that the dodecahedral fullerene of silicon is stabilized by thorium encapsulation. Thorium is found to be the only element in the Periodic Table that stabilizes this fullerene with icosahedral symmetry in the neutral state. The preference for bonding in silicon makes it an optimal cage with all pentagonal faces in contrast to carbon for which is difficult to stabilize. Similar to , this is the highest symmetry cluster of silicon and should be abundant. It could lead to the possibilities of novel new phases and derivatives of silicon.
- Received 24 September 2004
DOI:https://doi.org/10.1103/PhysRevB.71.115429
©2005 American Physical Society