The exposure of the miscut Si(001) surface to H gives rise to a rich sequence of stable step structures as a function of the H chemical potential. First-principles calculations of step-formation energies show that the formation of steps on the (2×1) reconstructed surface requires energy, but that on the (1×1) surface, steps form exothermically. This explains surface roughness at high H chemical potentials.
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Reboredo et al. (2001) studied this question.
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