Energetics of atomic hydrogen diffusion on Si(100)

Energetics of atomic hydrogen diffusion on Si(100). Vittadini, A., Selloni, A., & Casarin, M. Surface Science Letters, 289(3):L625–L630, June, 1993.

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\textlessp\textgreater\textlessbr/\textgreaterWe present first principles calculations of the potential energy surface for the diffusion of a single hydrogen atom on Si(100)2 × 1. Surface relaxation is found to be very important for the energetics of diffusion. A strong anisotropy is predicted for hydrogen motion: H should diffuse mainly along dimer rows, where activation energies are ~ 1.3 eV, while the barrier for row-to-row hopping is ~ 0.5 eV higher. Our results indicate that diffusion can be considered a fast process compared to H2 recombinative desorption.\textless/p\textgreater

@article{vittadini_energetics_1993,
	title = {Energetics of atomic hydrogen diffusion on {Si}(100)},
	volume = {289},
	issn = {0167-2584},
	url = {http://www.sciencedirect.com/science/article/B6X4J-47KPDKC-W3/2/446207e017219dcce589258b07df309f},
	doi = {10.1016/0167-2584(93)90751-4},
	abstract = {{\textless}p{\textgreater}{\textless}br/{\textgreater}We present first principles calculations of the potential energy surface for the diffusion of a single hydrogen atom on Si(100)2 × 1. Surface relaxation is found to be very important for the energetics of diffusion. A strong anisotropy is predicted for hydrogen motion: H should diffuse mainly along dimer rows, where activation energies are {\textasciitilde} 1.3 eV, while the barrier for row-to-row hopping is {\textasciitilde} 0.5 eV higher. Our results indicate that diffusion can be considered a fast process compared to H2 recombinative desorption.{\textless}/p{\textgreater}},
	number = {3},
	urldate = {2011-03-31},
	journal = {Surface Science Letters},
	author = {Vittadini, A. and Selloni, A. and Casarin, M.},
	month = jun,
	year = {1993},
	pages = {L625--L630},
}

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