Examination of an unusual grain boundary in CaF₂

We have examined a grain boundary in CaF₂ using Phonon Imaging and Electron Backscatter Diffractometry (EBSD). Unlike the <111> twin boundary typically found in CaF₂, the crystal grains on either side of the boundary are not simply related to any principle symmetry directions, and are not related to one another by symmetry operations of the cubic group. In spite of the high degree of misalignment of the crystalline lattices, phonons can pass this grain boundary without excessive energy loss. Phonon images of samples taken from different sections of the grain boundary show that the structural properties of the grain boundary are constant over a large area. Computer simulations of phonon scattering at the interface based on acoustic mismatch models demonstrate that the caustic positions are sensitive to small changes in the relative orientation of the two pieces and to the projection of the grain boundary on the image plane. EBSD gives the needed high precision measurement of the relative orientation, resulting in a superior model of phonon transmission through this very asymmetric interface. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)