Stabilization of Si60 cage structure

Q. Sun, Q. Wang, P. Jena, B. K. Rao, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

94 Citations (Scopus)

Abstract

Detailed calculations were performed on C60@Si60. Si60 was stabilized as a cage structure if smaller magic clusters were used. These clusters have geometries that are commensurate with the fullerene structure and can be embedded without causing too much strain in the Si-Si bonds. The accuracy of the theoretical method was high to predict that synthesis of Si60 in the fullerene structure is possible if small metal clusters were used as endohedral complexes.

Original languageEnglish
Article number135503
Pages (from-to)135503/1-135503/4
JournalPhysical review letters
Volume90
Issue number13
Publication statusPublished - 2003 Apr 4

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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