Stabilizing the silicon fullerene Si20 by thorium encapsulation

Abhishek Kumar Singh, Vijay Kumar, and Yoshiyuki Kawazoe
Phys. Rev. B 71, 115429 – Published 29 March 2005

Abstract

We show using ab initio electronic structure calculations that the dodecahedral fullerene of silicon Si20 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 sp3 bonding in silicon makes it an optimal cage with all pentagonal faces in contrast to carbon for which C20 is difficult to stabilize. Similar to C60, 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.

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  • Received 24 September 2004

DOI:https://doi.org/10.1103/PhysRevB.71.115429

©2005 American Physical Society

Authors & Affiliations

Abhishek Kumar Singh1, Vijay Kumar1,2, and Yoshiyuki Kawazoe1

  • 1Institute for Materials Research, Tohoku University, Aoba-ku, Sendai 980-8577, Japan
  • 2Dr. Vijay Kumar Foundation, 45 Bazaar Street, K. K. Nagar (West), Chennai 600 078, India

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Issue

Vol. 71, Iss. 11 — 15 March 2005

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