Abstract
Using the local-density approximation method we have investigated a cluster model of the Al/Si(111) interface. P atoms were placed in the fifth silicon double-atomic layer (DAL) counting from the interface. The second DAL was doped with either Ga or As. The Schottky barrier height was found to be 0.75 eV at the Al/Si(intrinsic) system and 0.73 eV at the Al/Si(P-doped) case. The additional doping of the near-interface layer by Ga increased the barrier to 0.90 eV while the As doping decreased it to 0.5 eV.
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