Energy band gaps of silicon-carbon alloys

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Abstract
The energy band gaps of silicon-carbon alloys are calculated using a GW approach with local density approximation (LDA) eigenfunctions. These band gaps are compared with those calculated with nonlocal corrections for the exchange-correlation energy functional. For small concentrations of carbon, it is found that carbon-silicon alloys are semiconducting with a very small band gap. These results are consistent with former LDA calculations, which predicted that the band gap of carbon-silicon alloy at low carbon concentrations is smaller than the band gap of pure silicon.