Energetics of Island Formation of AlAs, GaAs, and InAs on Si(100)

초록

We study the energetics of island formation of AlAs, GaAs, and InAs on Si(100)2x1 substrates from first-principles. Si(100) 2x1: As is stable under As-rich conditions in all cases. Si(100)2x1:(AlAs) and Si(100) 2x1:(GaAs) are stable under Al-rich and Ga-rich conditions, respectively. However, the surface energy of Si(100) 2x1: InAs is higher than that of Si(100)2x1: As under In-rich conditions. The energies of thicker epitaxial overlayer films of AlAs, GaAs, and InAs are predicted to be higher than the corresponding energies of these monolayer films.

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