Molecular-dynamics simulations of bulk and surface damage production in low-energy Cu→Cu bombardment

Abstract

Molecular-dynamics simulations are employed to study in detail the effects of low-energy (≤100 eV) bombardment of a Cu (001) surface by Cu atoms. By following the simulation up to 4 ps in real time, the end configuration of defects in the target can be observed. We present results on the vacancy and interstitial distribution in the target, the spontaneous defect recombination, the number of surface vacancies and adatoms produced, and the mixing of target atoms induced by the bombardment. Furthermore, the fate of the projectile atom−backscattering and implantation−and the sputtering behavior are investigated. The relevance of the results on the modelling of ion-beam (assisted) deposition is discussed.