Method of determing the energy of antiphase boundaries in {h0l} planes in a superstructure with an arbitrary primitive cell

Abstract

An expression obtained previously by the authors for the energy of formation of an antiphase shear boundary for the {001} orientation is generalized to the case of the {h0l } orientation. The given problem is solved by examining primitive cells of an intermetallide crystal in which one face is parallel to the plane of the antiphase boundary. The energy of the defect is given in the form of an analytical expression that can be used for any ordered alloy with an arbitrary primitive cell without restrictions on the number of coordination spheres in the atomic interactions. An example is presented and the results are compared with known data.