By using a simple interaction potential, the interfacial energy between bcc(110) and fcc(111) surfaces was calculated. Energy minima appear at specific values of the atomic diameter ratio of bcc to fcc for the Nishiyama-Wassermann orientation relationship (NW), [1 1 0] fcc|[001] bcc, and the Kurdjumov-Sachs relationship (KS), [1 1 0] fcc|[1 1 1] bcc. The reason for the appearance of energy minima is well understood by considering the relative atomic arrangements of the two lattices at the interface. From the calculation and from geometrical considerations, one can predict the preferred orientation relationship for epitaxy, namely the NW, and KS or a new [2 1 1 ] fcc|[001] bcc relationship, from the variation of the atomic diameter ratio of bcc to fcc.
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