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 ε2(E) and reflectivity. The valence-band density of states is found to be in reasonably good agreement with x-ray emission spectra.
ASJC Scopus subject areas
- Condensed Matter Physics