Bonding Effects on the Slip Differences in the B1 Monocarbides

Differences in plasticity are usually attributed to significant changes in crystalline symmetry or the strength of the interatomic bonds. In the B1 monocarbides, differences in slip planes exist at low temperatures despite having the same structure and very similar bonding characteristics. Our experimental results demonstrate concretely that HfC slips on {110} planes while TaC slips on {111} planes. Density functional theory calculations rationalize this difference through the formation of an intrinsic stacking fault on the {111} planes, formation of Shockley partials, and enhanced metallic bonding because of the valence filling of electrons between these transitional metal carbides.