Stabilization of [Formula presented] Cage Structure

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

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


A comprehensive search for the stable geometries of bare [Formula presented] and [Formula presented] supported on a [Formula presented] fullerene was carried out using first principles calculations based on density functional theory. In contrast to previous theoretical studies and in agreement with recent experiments, we show that [Formula presented] and [Formula presented] clusters are unstable in the fullerenelike cage structure. However, [Formula presented] cage can be stabilized by including within it, as endohedral units, small magic clusters such as [Formula presented] ([Formula presented], Ge, Sn, Pb) and [Formula presented].

Original languageEnglish
Pages (from-to)4
Number of pages1
JournalPhysical Review Letters
Issue number13
Publication statusPublished - 2003


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