MOLECULAR-DYNAMICS SIMULATIONS OF BULK DISPLACEMENT THRESHOLD ENERGIES IN SI

Molecular dynamics (MD) calculations of the bulk threshold displacemen t energies in single crystal silicon are carried out using the Tersoff potential. The threshold values are angularly dependent and typically vary from 10 to 20 eV for initial primary recoil momentum vectors nea r open directions in the lattice. An analytic representation of the an gular dependence of the threshold values about the [1 0 0] and [1 1 1] is developed to facilitate comparison with experiment.