The properties of Mg were calculated for bulk, surface and stacking faults, regarded as homogeneous interfaces, using density functional theory within a plane wave pseudopotential technique. Using a super-cell approach, stacking fault energies were determined for intrinsic, extrinsic and twin-like structures for the basal plane together with generalised stacking fault energies on basal, pyramidal and prismatic planes.

Surface, Interface and Stacking Fault Energies of Magnesium from First Principles Calculations. A.E.Smith: Surface Science, 2007, 601[24], 5762-5