MOLECULAR DYNAMICS SIMULATION OF DEPOSITING LOW–ENERGY ATOM Ti ON Ti(0001) SURFACE

Molecular dynamics (MD) with embedded atom method (EAM) was used for describing the variations of adsorption, sputtering and vacancy on surface with energy of incident atom Ti.The results show that a sputtering threshold energy of about 40—50 eV exists in the deposited process, and the incident atom with energy below the threshold value can be thought as deposited atom. Otherwise,the sputtering yield increases linearly with the increase of incident energy. Both distributions of adsorption and sputtering atoms present a 6–rotational symmetry. Adatoms mostly come from surface atoms of the substrate when incident energy is above threshold value, and the probability of incident atoms becoming adatoms is very little. Vacancies distribute mainly on the 1st layer and their amount in the sub–layer increases with the increase of incident energy which is above threshold value.