Simulation of ion beam induced crystallization and amorphization in (001) silicon

The ion beam induced epitaxial crystallization (IBIEC) and the ion beam ind uced interfacial amorphization (IBIIA) in (0 0 1) silicon caused by 3 MeV S i+ and 3 MeV Au+ irradiation at 293 K and 623 K are investigated by using a combination of binary collision MC simulations and MD simulations. The ene rgy and angular distribution of the primary recoils is calculated by TRIM a nd the subcascades caused by the primary recoils are treated by classical M D simulations using a correspondingly large MD cell with 49152 atoms. The r esulting topological interface structure is analyzed and compared with that obtained by thermally activated solid phase epitaxy. The rates of crystall ization and amorphization are calculated and compared with experimental dat a. Especially, their dependence on the nuclear deposited energy is discusse d. (C) 2001 Elsevier Science B.V. All rights reserved.