QUANTUM SIMULATION of STRUCTURE OF SILICON fullerenes
V.
V. Filippov, A. N. Vlasov
Lipetsk state pedagogical university,
faculty
of physics
Received November 10, 2011
Abstract. The results of
optimization of the atomic and electronic structure of silicon clusters with a
structure similar to carbon fullerenes are presented. The basic quantum-energy
parameters characterizing the electronic properties of the investigated nano-forms
are determined. To investigate the stability of silicone fullerenes the
binding energy of the hydrogenated and the encapsulated metal atoms nanostructures
is determined.
Keywords: silicon, nanoparticles,
fullerenes, NDDO PM3.