Scientific Bulletin. Physical and Mathematical Research


A new approach is proposed for studying the processes of nanoparticle growth under nonequilibrium conditions associated with vibronic effects. The adiabatic potential for studying atomic rearrangements of a local group of atoms is constructed. The nanoparticle growth process was studied by the method of synergetic modeling, taking into account the anharmonic terms in the adiabatic potential. Based on the methods of catastrophe theory, the conditions for the instability in a local group of atoms are found. It is shown that the number of bound atoms in a local group affects the stability of the local group of atoms. An analytical dependence was found between the energy gap in the electronic structure of a linear chain on its length. It is shown that with an increase in the interatomic distance in the linear chain of the local group of atoms, the energy gap narrows in its electronic spectrum. Using this vibronic effect, the analysis of the possibility of spontaneous atomic rearrangements in the volume of the mesophase of diamond, silicon and germanium is carried out. The possibility of the formation of tetrahedral nanostructures for silicon and germanium, and a hexagonal nanostructure for carbon in the volume of their mesophase is shown.

By using the concepts of the vibronic theory and the principles of synergetics, a new method for modeling the processes of formation of nanostructures has been developed. In the framework of the quasi-one-dimensional approximation, a criterion is found for the formation of nanostructures of a certain symmetry in the bulk of the mesophase of the growing crystal. Synergetic modeling opens up new possibilities in semiconductor microelectronics and nanotechnology in instrument making.

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