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Optical investigations using ultra-soft pseudopotential calculations of Si0.5Ge0.5 alloy

Y., Al-Douri; Y. P., Feng; A. C. H., Huan (Elsevier Ltd, 2008-12)

Ultra-soft pseudopotential (US-PP) calculations with a powerful package called VASP (Vienna ab initio simulation package) are used. The total density of state and the energy gap of Si0.5Ge0.5 alloy of zinc-blende structure ...