Ab initiostudy of antiphase boundaries and stacking faults inL12andDO22compounds

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.