Studies in phase and inversion problems for dynamical electron diffraction

Deposited with permission of the author. © 2003 Dr. Helen Mary Louise FaulknerThis thesis examines problems in electron diffraction and related areas of theoretical optics. It begins with a study of the phase of a quantum mechanical wave function and the behaviour of phase vortices and vortex cores. Several rules for vortex core evolution are given and simulated vortex trajectories are studied. These simulations show that in electron microscopy at atomic resolution and in other similar situations, vortices occur in the wave functions very frequently. This means any image processing methods which deal with the wave function phase must permit vortices to occur. In this context a number of methods of phase retrieval are compared and evaluated. The criteria of evaluation are the accuracy of the phase retrieval, its ability to cope with vortices, its numerical stability and its required computational resources. The best method is found to be an iterative algorithm similar in approach to the Gerchberg-Saxton method, but based on a through focal series of images. Using this phase retrieval method as an essential tool, the thesis continues with a study of inverse problems in electron optics. The first problem considered is that of using a set of images taken to characterise the coherent aberrations present in a general imaging system. This problem occurs in many areas of optics and is studied here with a focus on transmission electron microscopy. A method of using software to simultaneously determine aberrations and subsequently remove them is presented and tested in simulation. This method is found to have a high level of accuracy in aberration determination. The second inverse problem studied in this thesis is the inversion problem in dynamical electron diffraction. This problem is solved for a periodic object, giving an accurate and unique solution for the projected potential in the multiple scattering case. An extension of this solution to objects which are non-periodic in the direction of the incident wave is investigated. Finally a model computation solving the general inversion problem for dynamical diffraction in an aberrated transmission electron microscope is performed, illustrating this and previous material and summing up the advances presented in this work