The defects generated by Si recoils as a function of energies of up to 200eV were classified using classical molecular dynamics simulations, and an analysis was made of the geometry of each isolated defect. Most defects in this energy range were vacancies or interstitials; the latter being mostly in split-<110> configurations and less frequently in tetrahedral interstitial positions. Besides Frenkel pairs, bond defects and di-interstitials were found with significantly lower probability. The fraction of defects belonging to none of these types was less than 5% for recoil events below 200eV, but rises sharply at higher energies and remains almost constant at a value of 40% between 300 and 500eV. Moreover, the projected range and the pair distance distribution of the defects were determined. The results obtained were compared with the Tersoff and Stillinger–Weber interatomic potentials.

Defect Characterization of Low-Energy Recoil Events in Silicon using Classical Molecular Dynamics Simulation. G.Otto, G.Hobler, K.Gärtner: Nuclear Instruments and Methods in Physics Research B, 2003, 202, 114-9