The role of geometric considerations in the diamond-cubic boron nitride heteroepitaxial system

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Abstract
We report the methods and results of a theoretical study of the diamond‐cubic boron nitride [BNcub] heteroepitaxial system. We introduce a general, geometric reciprocal space technique for evaluating candidate epitaxial configurations, and a novel system of essentially geometric criteria to order them from most to least likely to occur. In the diamond‐ BNcub system, it is found that low index like planes require a relatively small strain of 1.37% from bulk parameters. The unlike epitaxial configuration which pairs diamond{100} with BNcub{221} and yields two‐dimensional coincidence with the same strain is favored above other low index mixed configurations. The essentially geometric nature of this epitaxial system is highlighted.