Abstract
The atomistic structure of a near Σ11 (N211) grain boundary in ultrapure α‐AI2O3 bicrystals was determined by quantitative high‐resolution transmission electron microscopy (HRTEM). High‐resolution imaging revealed an atomically sharp interface with a characteristic periodic pattern at (0111) ‖ (0111) facets. The pattern was analyzed by comparing the HRTEM micrographs with simulated images of different structures that had been relaxed by static‐lattice calculations. The best agreement with experiment was reached for the grain boundary structure with the lowest energy (1.7 J·m−2). Although this structure reproduces the relative translation state of the adjacent crystals to within 0.02 nm, the calculated structure was not in complete agreement with the periodic pattern at the grain boundary. The origin of this difference is probably due to a slight misalignment of the two crystals adjacent to the boundary.
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