Scientific article

Energetics of atomic hydrogen diffusion on Si(100)

Published inSurface science letters, vol. 289, no. 3, p. L625-L630
Publication date1993-06

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 ∼ 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.

Citation (ISO format)
VITTADINI, Andra, SELLONI CAR, Annabella, CASARIN, Mauro. Energetics of atomic hydrogen diffusion on Si(100). In: Surface science letters, 1993, vol. 289, n° 3, p. L625–L630. doi: 10.1016/0167-2584(93)90751-4
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Article (Published version)
ISSN of the journal0167-2584

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