Modeling and simulating the nucleation of amorphous or crystalline films of diamond-like materials

Abstract

The paper is concerned with the modeling and simulation of film nucleation and growth in the case of diamond-like deposition of materials on a (100) surface. Semi-empirical methods of computational quantum chemistry are used to estimate the potential energies of carbon clusters, on whose basis possible mechanisms of monolayer growth are investigated and the influence of temperature and pressure on a film microstructure is assessed.