Electronic structure and optical properties of3C-SiC

The electronic energy bands and wave functions of cubic $3C$-SiC have been calculated in the first-principles Hartree-Fock-Slater model, making use of the discrete variational method. A comparison is made between experimental optical data, calculated indirect transitions, and theoretical results for ${\epsilon }_2\mathrm{}\left(E\right)\mathrm{}$ and reflectivity. The valence-band density of states is found to be in reasonably good agreement with x-ray emission spectra.