Molecular dynamics simulations of low-energy particle bombardment effects during vapor-phase crystal growth: 10 eV Si atoms incident on Si(001)2x1 surfaces

Molecular dynamics simulations, utilizing the Tersoff many-body potential, were used to investigate the effects of 10 eV Si atom bombardment of a Si lattice with a (001)2x1 reconstructed surface. The irradiation events were initiated at an array of points in the primitive surface unit cell. Each event was followed to determine kinetic energy redistribution in the lattice as a function of time, ion and lattice atom trajectories, and the nature, number, and depth of residual defects. Surface dimer breaking, epitaxial growth (due to both projectiles and lattice atoms coming to rest at epitaxial positions), and the formation of residual hexagonal and split interstitials composed of projectiles and/or lattice atoms were observed. There were no residual vacancies. Impact points leading to each of the above results clustered in distinctly different regions of the surface unit cell. Implications of this work for ion-assisted film growth are discussed