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Preface The atomic arrangement in condensed matter plays an important role in many areas of science and technology* materials science and engineering, chemistry, biology, physics, and electrical, civil, mechanical, and chemical engineering. Many of the exciting discoveries in these fields in the twentieth century stem from studies of atomic arrangements using the tools of diffraction: the nature of the structure and, hence, the functions of D N A and other biological molecules; the crystalline nature of metals, semiconductors, and insulators, and the links between these structures, their defects and the materials' properties; the elec tronic structure of atoms; what little we know of the structure of liquids and amorphous solids such as water and glass; surfaces and their interaction with the environment; particle sizes in catalysts and fine adsorbates; chemical analysis, stresses in materials, and so on. The broad interdisciplinary character of diffraction studies makes them par ticularly exciting. With the development of new tools such as the high-resolution electron microscope, high-intensity sources of radiation, new detectors, and the new spectroscopic techniques (x-ray, photoelectron, Auger, etc.), the horizon of problems that can be examined has greatly expanded. However, within each field diffraction and crystal structure is only one specialty and it is all too easy for this area to be developed in such a narrow way within a specific field that one loses sight of the basic principles and broad possibilities. This has indeed happened, for example, with chemsits trained only to work on structure determinations, and materials scientists who know how to take pictures on an electron microscope, but who often do not possess the basic knowledge about diffraction necessary to use or advance the theory pertinent to their particular device. It is our hope that this book will help bridge these gaps between different fields and place diffraction methods in proper perspective right from the start. The book is intended for use in the senior or first graduate year in a university. The first five chapters contain the basic information concerning crystal symmetry, kinematical scattering theory, and the physical properties of χ rays, electrons, and neutrons. The last three chapters develop in more detail three major topics: xi xii PREFACE structure determination, defects in condensed matter, and dynamical scattering. We have tried to provide a suitable introduction to all these areas, and the major mathematical topics associated with them, including Fourier series and transform space, reciprocal lattice vectors, and convolution theory. 4 4 Diffraction from Materials" evolved over a fifteen-year period and was tested in its present form in the classroom at Northwestern University for three years with three different instructors, and once at another university. Revisions, extensions, and deletions were carried out each time as a result of these tests; as painful as this sometimes was, we believe that the result is a text that can be used with some confidence. In addition, we have tried to present the information in a form that will be useful as a continuing reference for workers in this field. The first five chapters and perhaps the first few pages of Chapter 6 are suitable for a one-semester course at the level indicated, provided that the instructor chooses one or two radiations and eliminates the material on the other(s), or seriously condenses the material in Chapter 1. If less than a semester is available, say 10-11 weeks (the quarter employed in many U.S . universities), this conden sation is essential. As well as dealing with only one radiation, one might even think of teaching Chapters 1 and 2 as parts of other courses. In a full year all of Chapters 1-5 can readily be covered and one other chapter (say Chapter 6 on structures) can be used and expanded upon, or two of the remaining three chap ters can be covered. Of course, laboratory sessions are an integral part of a course in this area. Many problems in the text include original films or data for those cases where equipment is not readily available for a particular topic. As an example of a sequence of laboratories for such a course in which x-ray diffraction is em phasized, the instructor might consider the following: First Session drawing two-dimensional lattices, point groups, and space groups and identifying symmetry elements. (Escher's drawings are wonderful for the latter and a suitable reference is "Symmetry Aspects of M . C . Escher's Periodic Drawings" by C . H. MaGillavry, A . Oosthoek's Uitgeversmaat Schappij. NV. Utrecht, 1965.) Second Session examining models of real structures in detail and checking atom coordinates versus space group coordinates in the International Ta bles. Third Session stereographic projections. Fourth and Fifth Sessions the diffractometer and its electronics. Sixth Session chemical analysis using x-ray fluorescence. Seventh Session Laue pattern analysis. Eighth Session powder pattern analysis. Alternatively, the formal laboratory might stop after the fifth or sixth session and small groups might be given a project such as an unknown crystal and the freedom of the laboratory to determine its system, lattice, and space group, and PREFACE xiii as much as reasonable of the atom coordinates. While this route requires consid erable effort of the students, it is much more fun than the weekly " s e t " labora tory and perhaps more useful in the long run. In a year-long course, we believe such a project in some area of diffraction to be essential in at least the second half. Solutions for most of the problems are given, but the reader is advised to use these only as a last resort, after first expending considerable effort to solve the problems. It is, after all, the development of the thought process in an area that is its key. The reader is unlikely to see a problem later on identical to the one he is solving, so that learning the solution alone is not enough. Parts of this work are based on a textbook, now out of print, written by one of the authors (Cohen) and entitled, "Diffraction Methods in Materials Science," Macmillan, New York, 1966.
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