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A unified treatment of current-induced instabilities on Si surfaces

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 Added by Tong Zhao
 Publication date 2004
  fields Physics
and research's language is English




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We introduce a simple two region model where the diffusion constant in a small region around each step on a vicinal surface can differ from that found on the terraces. Steady state results for this model provide a physically suggestive mapping onto kinetic coefficients in the conventional sharp-step model, with a negative coefficient arising from faster diffusion in the step region. A linear stability analysis of the resulting sharp-step model provides a unified and simple interpretation of many experimental results for current-induced step bunching and wandering instabilities on both Si(111) and Si(001) surfaces.



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137 - T. Zhao , J. D. Weeks 2004
We study current-induced step bunching and wandering instabilities with subsequent pattern formations on vicinal surfaces. A novel two-region diffusion model is developed, where we assume that there are different diffusion rates on terraces and in a small region around a step, generally arising from local differences in surface reconstruction. We determine the steady state solutions for a uniform train of straight steps, from which step bunching and in-phase wandering instabilities are deduced. The physically suggestive parameters of the two-region model are then mapped to the effective parameters in the usual sharp step models. Interestingly, a negative kinetic coefficient results when the diffusion in the step region is faster than on terraces. A consistent physical picture of current-induced instabilities on Si(111) is suggested based on the results of linear stability analysis. In this picture the step wandering instability is driven by step edge diffusion and is not of the Mullins-Sekerka type. Step bunching and wandering patterns at longer times are determined numerically by solving a set of coupled equations relating the velocity of a step to local properties of the step and its neighbors. We use a geometric representation of the step to derive a nonlinear evolution equation describing step wandering, which can explain experimental results where the peaks of the wandering steps align with the direction of the driving field.
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First-principles calculations using density functional theory based on norm-conserving pseudopotentials have been performed to investigate the Mg adsorption on the Si(001) surface for 1/4, 1/2 and 1 monolayer coverages. For both 1/4 and 1/2 ML coverages it has been found that the most favorable site for the Mg adsorption is the cave site between two dimer rows consistent with the recent experiments. For the 1 ML coverage we have found that the most preferable configuration is when both Mg atoms on 2x1 reconstruction occupy the two shallow sites. We have found that the minimum energy configurations for 1/4 ML coverage is a 2x2 reconstruction while for the 1/2 and 1 ML coverages they are 2x1.
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