Abstract
A possible optimal epitaxial relationship between the β-FeSi 2 film and a Si substrate was determined using the Δ g parallelism rule and a CCSL model. The predicted interface exhibits a good lattice matching, containing a secondary invariant line lying in an irrational orientation of [−2 −2.9 2.9] Si. The corresponding interface (−2.9 1 −1) Si, which defines the plane of the Si substrate, must contain steps. This interface may contain a set of the secondary edge dislocations with the Burgers vector of [ 0 1 0 ] β / 2 in a spacing of 26 nm to accommodate the small (1.5%) misfit between [ 0 1 0 ] β and [0 −1 −1] Si. Since the overall interfacial misfit is small, a high-quality β-FeSi 2 film will be possibly obtained by epitaxial growth on the special stepped Si substrate.
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