THE SYMMETRY OF 3-BEAM SCATTERING EQUATIONS - INVERSION OF 3-BEAM DIFFRACTION PATTERNS FROM CENTROSYMMETRIC CRYSTALS

It is shown that for a centrosymmetric crystal, and within the range o f validity of the three-beam approximation, the phases as well as the magnitudes of the three structure amplitudes can be measured uniquely and directly from the geometry of the intensity distributions in the d iscs of a convergent-beam diffraction pattern. In fact, the solution i s given in terms of three distances measured on the diffraction patter n. It is further shown that the inversion is independent of thickness. Three proofs are given, each illustrating a different aspect of the p hysical processes involved. In the first, the fundamental symmetry of the diffraction process is shown to be that of the special unitary gro up of order three and the Gell-Mann representation is used to construc t three sub-algebras, in terms of which the explicit solution is writt en. SU(3) is shown to have particular significance in crystallography, namely, that it is the group of lowest order with symmetries that can be analysed to yield structural phase. The second and longer method i nvolves the projection of the scattering matrix into the spaces of the eigenvectors. Unlike the first method, this makes use of a basis howe ver, it is not necessary to calculate explicitly either the eigenvecto rs or the eigenvalues. The third method, based on the Bloch-wave expan sion, shows that the system is characterized by three lines, which are ruled on one of the dispersion surfaces, and that all of the informat ion in the system is embodied in these lines. Although this theory is scalar and developed here for electron diffraction, it can apply equal ly to the right circular component of the wave function of X-rays. Som e brief remarks are made on the practicability of this method based on preliminary experiments that indicate that phase is the easiest of th e parameters to measure.