Valence band structure of porous SiC

The luminescence behavior of porous SiC (PSC) is somewhat different from th at of porous Si in that the so-called blue shift is not observed. Though th e quantum confinement effect is said to be responsible for light emission, the surface state of PSC will also play an important role. The surface of P SC, which seems to be the origin of the luminescence, has C-H termination. To calculate the electronic structure of PSC, we should model a cluster con sidered as bulk 6H-SiC (alpha) and then design the surface which shows the surface of PSC. The cluster of CSi4C12 is chosen in this study. We put the C atom at the center and four tetrahedral Si around this center C; then, we terminate the 3 bondings of each Si by 3C atoms, totally 17 atoms. The DOS plot of the cluster is used for the interpretation of X-ray photoelectron spectroscopy spectra of the valence band of SiC.