A computational study of thin cubic carbide films in WC/Co interfaces

We examine the propensity for the formation of thin films of cubic TiC, VC, CrC, ZrC, NbC, MoC, HfC, TaC and WC in the metal–ceramic interface between simple hexagonal WC and Co using density functional theory. Films of TiC, VC, CrC and MoC are predicted to be stable, of which VC and MoC show the strongest propensity for formation. The results provide an explanation for the experimentally observed WC grain growth inhibition effect and alteration of WC grain shape attained in VC-doped WC–Co.