Stabilizing the silicon fullerene Si 20 by thorium encapsulation

Abhishek Kumar Singh, Vijay Kumar, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

53 Citations (Scopus)

Abstract

We show using ab initio electronic structure calculations that the dodecahedral fullerene of silicon Si 20 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 sp 3 bonding in silicon makes it an optimal cage with all pentagonal faces in contrast to carbon for which C 20 is difficult to stabilize. Similar to C 60, 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.

Original languageEnglish
Article number115429
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume71
Issue number11
DOIs
Publication statusPublished - 2005 Mar 15

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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