Abstract
We have used high-energy x-ray photoelectron diffraction to investigate the structure of the first monolayer of epitaxial Si on GaAs(001)-(2\ifmmode\times\else\texttimes\fi{}4). Analysis reveals that Si indiffusion occurs, resulting in Si occupancies of \ensuremath{\sim}0.6, 0.3, and 0.1 in the first, second, and third layers, respectively. In addition, Si atoms are displaced from their respective bulk truncated coordinates by 0.5\ifmmode\pm\else\textpm\fi{}0.1 \AA{} along [110] in the first layer, and by 0.4\ifmmode\pm\else\textpm\fi{}0.1 \AA{} along [1\ifmmode\bar\else\textasciimacron\fi{}10] in the second layer. These results provide an explanation for the unusual band-offset behavior at AlAs/Si/GaAs heterojunctions.
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