Analysis of the Results of Silicon Sputtering Simulation as Functions of Different Ar–Si Potentials

Resumo

The influence of the form of the Ar–Si interatomic potential on the results of simulating the physical sputtering of amorphous Si by low-energy Ar ions is analyzed. The yields of Si sputtering by Ar ions with an energy of 50–300 eV at normal incidence are calculated using the molecular dynamics (LAMMPS software) and the Monte Carlo methods by means of the MOTREV program developed at the Skobeltsyn Institute of Nuclear Physics, the Moscow State University, and used quantum-mechanical elastic-scattering cross sections. The semiempirical Molière and ZBL pair potentials and a potential developed on the basis of density functional theory calculations are applied to describe Ar–Si interaction. The energy dependences of the sputtering yields obtained using different potentials are analyzed in this paper. Conclusions concerning the applicability of the considered Ar—Si interaction potentials to simulation of the physical sputtering of amorphous Si in the indicated range of projectile energies are drawn.