A Monte Carlo investigation of Gallium and Arsenic migration on GaAs(100) surface

We perform an atomic scale simulation of GaAs/GaAs(100) growth, using the Kinetic Monte Carlo (KMC) technique, to investigate some aspects of Gallium and Arsenic surface migration. We show that the interlayer migration rate is smaller for Arsenic than for Gallium. Results suggest that upward diffusion is thermally activated while downward diffusion is kinetically controlled. We also find an oscillatory behavior of the surface diffusion rates during the growth, in close relation to the roughening of the substrate. The surface migration rates are governed by the temperature, but mostly by the Arsenic to Gallium flux ratio. The Gallium average diffusion lengths are estimated to be ~440 nm at 620°C and ~130 nm at 530°C, in agreement with experimental data.

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