Stillinger-Weber potential amorphous silicon

Abstract Recrystallization of amorphous silicon is studied by classical molecular dynamics. First, a simulation scheme is developed to systematically determine the amorphous on crystal (a/c) silicon motion and compare it to established measurements by Olson and Roth [1], As a result, it is shown that MD simulations using Ter-soff [2] potential are adapted to simulate solid phase epitaxy, although a temperature shift to high values should be accounted for, while simulations using Stillinger-Weber [3] allows to study liquid phase epitaxy. In a second part, the simulation approach is applied to the case of a nanostructure [4] where classical recipes fail to achieve complete recrystallization. MD simulations are shown to be in agreement with experimental observations. The analysis of the structural evolution with time provide a support to understand the origin of the defects. 

Dereli G (1992) Stillinger-Weber type potentials in Monte-Carlo simulation of amorphous-silicon. Mol Simul 8(6) 351-360... 

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