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Phys. Rev. Lett. 80, 5365 - 5368 (1998)

Synthesis and Structure of Silicon-doped Heterofullerenes

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C. Ray, M. Pellarin, J. L. Lermé, J. L. Vialle, and M. Broyer
Laboratoire de Spectrométrie Ionique et Moléculaire (UMR C.N.R.S. 5579), Université Claude Bernard-Lyon 1, Bâtiment 205, 43 Bd du 11 Novembre 1918, 69622 Villeurbanne Cédex, France

X. Blase, P. Mélinon, P. Kéghélian, and A. Perez
Département de Physique des Matériaux (UMR C.N.R.S. 5586), Université Claude Bernard-Lyon 1, Bâtiment 203, 43 Bd du 11 Novembre 1918, 69622 Villeurbanne Cédex, France

Received 9 January 1998

We report on the synthesis of C2n-qSiq clusters with 2n  =  32-100 and q<4. The analysis of the abundance distribution and photofragmentation spectra provides clear evidences that such clusters remain in the fullerene geometry and that the Si atoms are located close to each other in the fullerene network. These results are corroborated by ab initio calculations within the density functional theory. The stability and electronic properties of these heterofullerenes are discussed.


©1998 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.80.5365
DOI: 10.1103/PhysRevLett.80.5365
PACS: 61.48.+c, 36.40.Qv, 71.20.-b

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