Modeling of electronic properties of silicon nanoparticles with dense atomic packing

Abstract

Results of optimization of the atomic structure and calculation of electronic and transfer characteristics of Si13 silicon clusters with dense atomic packing and silicon nanoparticles encapsulated by transitive metal atoms (Cu, Zn, Fe, and Ni) are presented. It is demonstrated that an external electric field and a silicon nanostructure charge change significantly their energy spectrum and kinetic properties.