Ab Initio Self-Consistent Calculations of the Polarizability and Related Functions of Cubic SiC

Crystalline orbitals obtained by the linear combination of atomic orbitals−self consistent field (LCAO−SCF) method at the Hartree−Fock (HF) and Kohn−Sham (KS) levels, are used to calculate the polarizability and related functions such as dielectric constant, reflectance, and energy-loss function (ELF). Comparison of our calculations with experiment leads to a satisfactory agreement. The ELF spectra show clearly the energy ranges corresponding to the electronic excitations of the different orbitals. The carbon K-edge range is accurately analyzed in connection with the density of states.