Computer Modelling of Electronic and Atomic Processes in Solids

This volume collects the proceedings of the 23rd International Course of Crystallography, entitled "X-ray and Neutron Dynamical Diffraction, Theory and Applications," which took place in the fascinating setting of Erice in Sicily, Italy. It was run as a NATO Advanced Studies Institute with A. Authier (France) and S. Lagomarsino (Italy) as codirectors, and L. Riva di Sanseverino and P. Spadon (Italy) as local organizers, R. Colella (USA) and B. K. Tanner (UK) being the two other members of the organizing committee. It was attended by about one hundred participants from twenty four different countries. Two basic theories may be used to describe the diffraction of radiation by crystalline matter. The first one, the so-called geometrical, or kinematical theory, is approximate and is applicable to small, highly imperfect crystals. It is used for the determination of crystal structures and describes the diffraction of powders and polycrystalline materials. The other one, the so-called dynamical theory, is applicable to perfect or nearly perfect crystals. For that reason, dynamical diffraction of X-rays and neutrons constitutes the theoretical basis of a great variety of applications such the techniques used for the characterization of nearly perfect high technology materials, semiconductors, piezoelectric, electrooptic, ferroelectric, magnetic crystals, the X-ray optical devices used in all modem applications of Synchrotron Radiation (EXAFS, High Resolution X-ray Diffractometry, magnetic and nuclear resonant scattering, topography, etc. ), and X-ray and neutron interferometry.