D. Ayma et al., Ab initio self-consistent calculations of the polarizability and related functions of cubic SiC, J PHYS CH B, 103(26), 1999, pp. 5441-5445
Crystalline orbitals obtained by the linear combination of atomic orbitals-
self consistent field (LCAO-SCF) method at the Hartree-Fock (HF) and Kohn-S
ham (KS) levels, are used to calculate the polarizability and related funct
ions such as dielectric constant, reflectance, and energy loss function (EL
F). 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 ran
ge is accurately analyzed in connection with the density of states.