Molecular Dynamics simulations of the formation and crystallization of amorphous Si

► Encouraged by the good performance of the MEAM-L potential for Si in Molecular Dynamics simulations of 500 eV Ar bombardment of Si (001) surface [M. Timonova, B-J. Lee, B.J. Thijsse, Nucl. Instr. Meth. B 225 (2007) 195], we continue to investigate the amorphous phase formed during this bombardment and compare it with the amorphous phase formed in the same way using the Stillinger-Weber potential [F.H. Stillinger, T.A. Weber, Phys. Rev. B 31 (1985) 5262] and with the amorphous phase produced by high-energy ion self-implantation experiments [K. Laaziri, et al, Phys. Rev. B 60 (1999) 13520]. ► By submitting the computational amorphous phases to high-temperature treatments we follow the kinetics of the crystallization process. ► The purpose of the study is to analyze the amorphous structure, to identify the atomistic details of relaxation and crystallization dynamics, and to validate the potentials.