Abstract
Using the cluster version of the local-density approximation method, we have studied the dopant's influence on the electronic structure 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 in the Al Si (pure) cluster system and 0.73 eV in 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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