Investigation of plasticity in silicon nanowires by molecular dynamics simulations

摘要

We have performed molecular dynamics simulations on silicon nanowires (Si-NW) with [001] axis and square section. The forces are modeled by well-tested semi-empirical potentials. First we investigated the edge reconstruction of Si nanowires. Then, we studied the behavior of the NW when submitted to compression stresses along its axis. At low temperature (300K), we observed the formation of dislocation loops with a Burgers vector 1/2 [10-1]. These dislocations slip in the unexpected {101} planes having the largest Schmid factor.