Powder Diffraction: Theory and Practice - Hardcover

Hardcover

ISBN 10: 0854042318 ISBN 13: 9780854042319

Publisher: Royal Society of Chemistry, 2008

Synopsis

A long awaited overview of the status of powder diffraction in modern research including essential theory and introductory material for students and researchers.

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From the Back Cover

Powder diffraction is a widely used scientific technique in the characterization of materials with broad application in materials science, chemistry, physics, geology, pharmacology and archaeology. Powder Diffraction Theory and Practice provides an advanced introductory text about modern methods and applications of powder diffraction in research and industry. The authors begin with a brief overview of the basic theory of diffraction from crystals and powders. Data collection strategies are described including x-ray, neutron and electron diffraction setups using modern day apparatus including synchrotron sources. Data corrections, essential for quantitative analysis are covered before the authors conclude with a discussion of the analysis methods themselves. The information is presented in a way that facilitates understanding the information content of the data, as well as best practices for collecting and analyzing data for quantitative analysis. This long awaited book condenses the knowledge of renowned experts in the field into a single, authoritative, overview of the application of powder diffraction in modern materials research. The book contains essential theory and introductory material for students and researchers wishing to learn how to apply the frontier methods of powder diffraction.

From the Inside Flap

Powder diffraction is a widely used scientific technique in the characterization of materials with broad application in materials science, chemistry, physics, geology, pharmacology and archaeology. Powder Diffraction Theory and Practice provides an advanced introductory text about modern methods and applications of powder diffraction in research and industry. The authors begin with a brief overview of the basic theory of diffraction from crystals and powders. Data collection strategies are described including x-ray, neutron and electron diffraction setups using modern day apparatus including synchrotron sources. Data corrections, essential for quantitative analysis are covered before the authors conclude with a discussion of the analysis methods themselves. The information is presented in a way that facilitates understanding the information content of the data, as well as best practices for collecting and analyzing data for quantitative analysis. This long awaited book condenses the knowledge of renowned experts in the field into a single, authoritative, overview of the application of powder diffraction in modern materials research. The book contains essential theory and introductory material for students and researchers wishing to learn how to apply the frontier methods of powder diffraction.

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Powder Diffraction

Theory and Practice

By Robert E. Dinnebier, Simon J. L. Billinge

The Royal Society of Chemistry

Copyright © 2008 The Royal Society of Chemistry
All rights reserved.

ISBN: 978-0-85404-231-9

Contents

Chapter 1 Principles of Powder Diffraction Robert E. Dinnebier and Simon J. L. Billinge, 
Chapter 2 Experimental Setups Jeremy Karl Cockcroft and Andrew N. Fitch, 
Chapter 3 The Intensity of a Bragg Reflection R. B. Von Dreele and J. RodriguezCarvajal, 
Chapter 4 General Data Reduction Rudolf Allmann, 
Chapter 5 The Profile of a Bragg Reflection for Extracting Intensities Armel Le Bail, 
Chapter 6 Instrumental Contributions to the Line Profile in X-Ray Powder Diffraction. Example of the Diffractometer with Bragg–Brentano Geometry Alexander Zuev, 
Chapter 7 Indexing and Space Group Determination Angela Altomare, Carmelo Giacovazzo and Anna Moliterni, 
Chapter 8 Crystal Structure Determination Rocco Caliandro, Carmelo Giacovazzo and Rosanna Rizzi, 
Chapter 9 Rietveld Refinement R. B. Von Dreele, 
Chapter 10 The Derivative Difference Minimization Method Leonid A. Solovyov, 
Chapter 11 Quantitative Phase Analysis Ian C. Madsen and Nicola V. Y. Scarlett, 
Chapter 12 Microstructural Properties: Texture and Macrostress Effects Nicolae C. Popa, 
Chapter 13 Microstructural Properties: Lattice Defects and Domain Size Effects Paolo Scardi, 
Chapter 14 Two-dimensional Diffraction Using Area Detectors Bernd Hinrichsen, Robert E. Dinnebier and Martin Jansen, 
Chapter 15 Powder Diffraction under Non-ambient Conditions Poul Norby and Ulrich Schwarz, 
Chapter 16 Local Structure from Total Scattering and Atomic Pair Distribution Function (PDF) Analysis Simon Billinge, 
Chapter 17 Computer Software for Powder Diffraction Lachlan M. D. Cranswick, 
Subject Index, 

CHAPTER 1

Principles of Powder Diffraction

ROBERT E. DINNEBIER AND SIMON J. L. BILLINGE

1.1 INTRODUCTION

This chapter presents some very basic results about the geometry of diffraction from crystals. This is developed in much greater detail in many textbooks but a concise statement of the basic concepts greatly facilitates the understanding of the advanced later chapters so we reproduce it here for the convenience of the reader. Since the results are so basic, we do not make any attempt to reference the original sources. The bibliography at the end of the chapter lists a selection of some of our favorite introductory books on powder diffraction.

1.2 FUNDAMENTALS

X-rays are electromagnetic (em) waves with a much shorter wavelength than visible light, typically on the order of 1 [Angstrom] (= 1 × 10-10 m). The physics of em-waves is well understood and excellent introductions to the subject are found in every textbook on optics. Here we briefly review the results most important for understanding the geometry of diffraction from crystals. Classical em-waves can be described by a sine wave that repeats periodically every 2 π radians. The spatial length of each period is the wavelength λ. If two identical waves are not coincident, they are said to have a "phase shift" with respect to each other (Figure 1.1). This is either measured as a linear shift, Δ on a length scale, in the units of the wavelength, or equivalently as a phase shift, δ[??]on an angular scale, such that:

Δ/λ = δφ/2π [??] δφ = 2π/Δ (1)

The detected intensity, I, is the square of the amplitude, A, of the sine wa

Edition details

• Publisher: Royal Society of Chemistry
• Publication date: 2008
• Language: English
• ISBN 10: 0854042318
• ISBN 13: 9780854042319
• Binding: Hardcover
• Number of pages: 604
• Editor: R E Dinnebier