Compton profile of vanadium carbide and vanadium nitride

A self-consistent, all-electron calculation was carried out for vanadium carbide and vanadium nitride using the linear-combination-of-Gaussian-orbitals method. Results are presented and discussed in light of existing theoretical and experimental data for partial density of states, total density of states, charge analysis, and Compton profile. From the comparison of the two compounds a pronounced change in the nonmetal p and vanadium d interaction is found, and is discussed in connection with the binding mechanism and directional anisotropies.