Dipole moments of components of a nanocluster subsystem

Abstract

The article presents the results of the analysis of the components of film heterojunction – nanoclusters using silicon as an example. The formation of the nanocluster subsystem of heterojunction with nanoclusters – quantum-sized objects – opens wide possibilities for the creation of modern functional nanoelectronic devices. Within the framework of the electron density functional method, a parameterization is proposed that allows the mechanical, electrical, and optical characteristics of nanoclusters to be determined with sufficient accuracy. The results of calculations of the dipole moments of silicon nanoclusters with different topologies are presented. The relationship between the dipole moment and the internal structure of nanoclusters observed in experiments is considered. The influence of changes in the angles of interatomic chemical bonds on the properties of nanoclusters is analyzed. The proposed approach allows us to control and manage the properties of film heterojunctions with nanocluster subsystem.