Distribution of Grain Boundaries in SrTiO3as a Function of Five Macroscopic Parameters

Measurements of the grain boundary population as a function of misorientation and boundary plane orientation show that the distribution is inversely correlated to the sum of the energies of the surfaces comprising each boundary. The observed correlation suggests that the difference between the energy of a high-angle grain boundary and the two component surfaces is relatively constant as a function of misorientation. Two exceptions to this correlation were identified: low-misorientation-angle boundaries and the coherent twin boundary, where the (111) planes in the adjoining crystals are parallel to each other, but rotated by 60° around the [111] axis. In these cases, the high degree of coincidence across this interface probably lowers the boundary energy with respect to that of the component surfaces. For all other boundaries, the anisotropy of the population is accurately predicted by the surface energy anisotropy, and in general, boundaries display a preference for {100} orientations, the planes of minimum surface energy.