Modern Diffraction Methods

The role of diffraction methods for the solid-state sciences has been pivotal to determining the (micro)structure of a material. Particularly, the expanding activities in materials science have led to the development of new methods for analysis by diffraction. This book offers an authoritative overview of the new developments in the field of analysis of matter by (in particular X-ray, electron and neutron) diffraction. It is composed of chapters written by leading experts on 'modern diffraction methods'. The focus in the various chapters of this book is on the current forefront of research on and applications for diffraction methods. This unique book provides descriptions of the 'state of the art' and, at the same time, identifies avenues for future research. The book assumes only a basic knowledge of solid-state physics and allows the application of the described methods by the readers of the book (either graduate students or mature scientists).

Table of Contents:
PREFACE PART I: Structure Determination STRUCTURE DETERMINATION OF SINGLE CRYSTALS Introduction The Electron Density Diffraction and the Phase Problem Fourier Cycling and Difference Fourier Maps Statistical Properties of Diffracted Intensities The Patterson Function Patterson Search Methods Direct Methods Charge Flipping and Low-Density Elimination Outlook and Summary MODERN RIETVELD REFINEMENT, A PRACTICAL GUIDE The Peak Intensity The Peak Position The Peak Profile The Background The Mathematical Procedure Agreement Factors Global Optimization Method of Simulated Annealing Rigid Bodies Introduction of Penalty Functions Parametric Rietveld Refinement STRUCTURE OF NANOPARTICLES FROM TOTAL SCATTERING Introduction Total Scattering Experiments Structure Modeling and Refinement Examples Outlook PART II: Analysis of the Microstructure DIFFRACTION-LINE PROFILE ANALYSIS Introduction Instrumental Broadening Structural Specimen Broadening Practical Application of Line Profile Analysis Conclusions RESIDUAL STRESS ANALYSIS BY X-RAY DIFFRACTION METHODS Introduction Principles of Near-Surface X-Ray Residual Stress Analysis Near-Surface X-Ray Residual Stress Analysis by Advanced and Complementary Methods Final Remarks STRESS ANALYSIS BY NEUTRON DIFFRACTION Introductory Remarks Fundamentals of the Technique Instrumentation Capabilities Examples TEXTURE ANALYSIS BY ADVANCED DIFFRACTION METHODS Introduction and Background Synchrotron X-Rays Neutron Diffraction Electron Diffraction Comparison of Methods Conclusions SURFACE-SENSITIVE X-RAY DIFFRACTION METHODS Introduction X-Ray Reflectivity Bragg Scattering in Reduced Dimensions (Crystal Truncation Rod Scattering) Grazing Incidence X-Ray Diffraction Experimental Geometries Trends THE MICRO- AND NANOSTRUCTURE OF IMPERFECT OXIDE EPITAXIAL FILMS The Diffracted Amplitude and Intensity The Correlation Volume Lattice Strain Example Strain Gradients Conclusions PART III: Phase Analysis and Phase Transformations QUANTITATIVE PHASE ANALYSIS USING THE RIETVELD METHOD Introduction Mathematical Basis Applications in Minerals and Materials Research Summary KINETICS OF PHASE TRANSFORMATIONS AND OF OTHER TIME-DEPENDENT PROCESSES IN SOLIDS ANALYZED BY POWDER DIFFRACTION Introduction Kinetic Concepts Tracing the Process Kinetics by Powder Diffraction Mode of Measurement: In Situ versus Ex Situ Methods Types of Kinetic Processes and Examples Concluding Remarks PART IV: Diffraction Methods and Instrumentation LABORATORY INSTRUMENTATION FOR X-RAY POWDER DIFFRACTION: DEVELOPMENTS AND EXAMPLES Introduction: Historical Sketch Laboratory X-Ray Powder Diffraction: Instrumentation Examples THE CALIBRATION OF LABORATORY X-RAY DIFFRACTION EQUIPMENT USING NIST STANDARD REFERENCE MATERIALS Introduction The Instrument Profile Function SRMs, Instrumentation, and Data Collection Procedures Data Analysis Methods Instrument Qualification and Validation Conclusions SYNCHROTRON DIFFRACTION: CAPABILITIES, INSTRUMENTATION, AND EXAMPLES Introduction The Underlying Physics of Synchrotron Sources Diffraction Applications Exploiting High Source Brilliance High Q-Resolution Measurements Applications of Tunability: Resonant Scattering Future: Ultrafast Science and Coherence HIGH-ENERGY ELECTRON DIFFRACTION: CAPABILITIES, INSTRUMENTATION, AND EXAMPLES Introduction Instrumentation Electron Diffraction Methods in the TEM Summary and Outlook IN SITU DIFFRACTION MEASUREMENTS: CHALLENGES, INSTRUMENTATION, AND EXAMPLES Introduction Instrumentation and Experimental Challenges Examples INDEX