Ab initio study of antiphase boundaries and stacking faults in L$1_2$ and ${\mathit{DO}}_{22}$ compounds

We have performed ab initio calculations of the energies of antiphase boundaries as well as complex and superlattice intrinsic stacking faults in nine intermetallic compounds observed in the face-centered-cubic L$1_2$ and ${\mathit{DO}}_{22}$ structures. The calculations were performed by means of a Green’s function technique based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations.