Abstract
We study the energetics of island formation of AlAs, GaAs, and InAs on Si(100)2×1 substrates from first-principles. Si(100)2×1:As is stable under As-rich conditions in all cases. Si(100)2×1:(AlAs) and Si(100)2×1:(GaAs) are stable under Al-rich and Ga-rich conditions, respectively. However, the surface energy of Si(100)2×1:InAs is higher than that of Si(100)2×1: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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Lee, G., Efimov, O. & Yoon, YG. Energetics of island formation of AlAs, GaAs, and InAs on Si(100). Journal of the Korean Physical Society 60, 777–780 (2012). https://doi.org/10.3938/jkps.60.777
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DOI: https://doi.org/10.3938/jkps.60.777