Diffusion of hydrogen in crystalline silicon
Materials Science
2009-10-31 v1
Abstract
The coefficient of diffusion of hydrogen in crystalline silicon is calculated using tight-binding molecular dynamics. Our results are in good quantitative agreement with an earlier study by Panzarini and Colombo [Phys. Rev. Lett. 73, 1636 (1994)]. However, while our calculations indicate that long jumps dominate over single hops at high temperatures, no abrupt change in the diffusion coefficient can be observed with decreasing temperature. The (classical) Arrhenius diffusion parameters, as a consequence, should extrapolate to low temperatures.
Cite
@article{arxiv.cond-mat/9908136,
title = {Diffusion of hydrogen in crystalline silicon},
author = {Sabrina Bedard and Laurent J. Lewis},
journal= {arXiv preprint arXiv:cond-mat/9908136},
year = {2009}
}
Comments
4 pages, including 5 postscript figures; submitted to Phys. Rev. B Brief Report