Electronic Structure of TaC using Compton Scattering Technique

Abstract

The first ever Compton profile of polycrystalline tantalum carbide has been measured using 137Cs isotope. The results are compared with theoretical ionic Compton profiles and pseudopotential approach within Hartree-Fock theory. We have also computed the density of states using Hartree-Fock theory. The computed density of states confirms the metallic like behaviour of this compound. It is seen that the theoretical profile with ionic arrangement Ta+2C2- gives a better agreement with the experimental Compton profile.