COMPTON PROFILE OF VANADIUM CARBIDE AND VANADIUM NITRIDE

A self-consistent, all-electron calculation was carried out for vanadi um carbide and vanadium nitride using the linear-combination-of-Gaussi an-orbitals method. Results are presented and discussed in light of ex isting 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 nonmeta l p and vanadium d interaction is found, and is discussed in connectio n with the binding mechanism and directional anisotropies.