It was noted that the study of extended defects required that atomic models be able to furnish theoretical values that characterized the defects; for comparison with experimental observations. In the case of these hexagonal metals, with high c/a ratios, such comparisons were controversial; due to the difficulty of using known potentials. A previously developed semi-empirical tight-binding method was used here in order to calculate the energy of extended defects in Zn and Cd. A good correlation was obtained for hypothetical polytypes and for basal stacking faults. Two possible interfaces were found for the (10▪2) twin.

Basal Stacking Faults and (10▪2) Twin Energies by a Semi-Empirical Tight-Binding Method for Zinc and Cadmium. A.Béré, J.Chen, A.Hairie, G.Nouet, E.Paumier: Physica Status Solidi B, 2004, 241[11], 2482-8