Change the state of 2D nanofilms under the substrate influence

Abstract

2D films deformations under action of ferroelectric substrate by computer modeling method are performed in article. The film has a square lattice. We use harmonic law for the energy of interatomic interaction. The substrate effect on the film is simulated by the 2D Frenkel-Kontorova potential. The orientation of the film and the substrate do not match. Different cases for periods of film and substrate are considered. The Monte Carlo method is used for computer modeling. If the period of the film and the substrate coincide, the film atoms are placed at the minimum points of the substrate. The film on the substrate has a square crystal lattice. If the period of the substrate is less than the period of the film, the continuous film is converted into a film 2D nanoparticles. The substrate potential amplitude affects the filling of the space between particles. If the period of the substrate is longer than the period of the film, a superstructure in the form of a periodic lattice with an increased particle concentration is formed in the film. The distribution of atoms in the superstructure is determined by the substrate potential amplitude of the substrate potential.