Towards a full retrieval of the deformation tensor F using convergent beam electron diffraction

Ultramicroscopy. 2016 Jan:160:64-73. doi: 10.1016/j.ultramic.2014.12.009. Epub 2014 Dec 19.

Abstract

A new method to retrieve the local lattice parameters and rotations in a crystal from off-axis convergent beam electron diffraction (CBED) patterns is presented and validated using Bloch wave dynamical simulations. The originality of the method is to use both the diffracted and transmitted beams and to use kinematical approximations in the fitting algorithm. The study is based on the deformation gradient tensor F which includes rotation and strain. Working on simulated images it is shown that (i) from a single direction of observation, seven parameters out of the nine parameters of F can be determined with an accuracy of 3 × 10(-4) for the normal strain parameters εxx, εyy, and εzz, (ii) the unit cell volume can only be retrieved if the diffracted and transmitted beams are both included in the fitting and (iii) all the nine parameters of F can be determined by combining two directions of observation separated by about 20°.

Keywords: Ambiguity; CBED; Deformation gradient tensor; Lattice parameter determination; Strain.