Figure 3

Electronic band structure of pSiC with different passivation schemes. The electronic band structures of the Si-rich pSiC surfaces with (a) H passivation and 1-oxygen (b) double-bonded and (c) bridge-bonded at the surface are shown. The electronic band structures of the C-rich surfaces with (d) H passivation and 1-oxygen (e) double-bonded and (f) bridge-bonded at the surface are also displayed. In the inset in each panel, we show the optimized pSiC structures for which the band structures were calculated.