Abstract
Interfacial energies between the fcc(111) plane and bcc lattice planes such as (100), (110), (111), (210), (211), and (310) planes have been calculated using a simple interaction energy. The interfacial energy varies with azimuthal angle in the interface and the atomic diameter ratio of bcc to fcc, α. From geometrical considerations of the atomic configuration at the interface azimuthal angle was fixed in several cases and the interfacial energy versus α was obtained for each interface. The interfacial energy shows some energy valleys at the specific values of α. By comparison of the depths of the energy valleys in each interfacial energy versus α curve, we can predict the preferred orientation relationships in bcc metals on the fcc(111) surface. The results show that not only bcc(110) plane but also other lattice planes can appear on the fcc(111) surface as the epitaxial orientation relationship.
