A very challenging problem in solid state physics is the understanding of how to manipulate materials at an atomic scale to obtain nanometer sized structures displaying radically new behaviour with respect to bulk materials. One promising direction for assembling well defined structures of nanometer size by exploiting natural, self limiting, processes is the growth of small semiconductor clusters in host materials, such as the zeolites, which present regular small cavities.
Ab-initio molecular dynamics study of the stability and optical properties of ultra-small III-V hydrogenated clusters
F. Buda, A. Fasolino, Phys. Rev. B 52, 5861 (1995).
Band gap engineering by III-V infill in sodalite,
A. Trave, F. Buda, A. Fasolino Phys. Rev. Lett. 77,5405 (1996) abstract
Strained semiconductor clusters in sodalite
F. Buda, A. Fasolino, Phys. Rev. B 60, 6131 (1999) abstract

Spontaneous formation of GaP fullerenes Click on the figure to see the animation!

Spontaneous formation and stability of small GaP fullerenes,
V. Tozzini, F. Buda, A. Fasolino, Phys. Rev. Lett. 85, 4554 (2000) abstract
Spontaneous formation and stability of III-V cage structures: A theoretical prediction of new fullerenes.
F. Buda, V. Tozzini, and A. Fasolino MRS 2001
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