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.