The diffusion coefficient of H in crystalline material was calculated by using tight-binding molecular dynamics methods. The results were in good quantitative agreement with an earlier study. Although the present calculations indicated that long jumps predominated over single hops at high temperatures, no sudden change in the diffusion coefficient was observed with decreasing temperature. The classical Arrhenius diffusion parameters were therefore expected to extrapolate to low temperatures.

Diffusion of Hydrogen in Crystalline Silicon S.Bédard, L.J.Lewis: Physical Review B, 2000, 61[15], 9895-8