Combined Analysis

Table of Contents

Introduction

Acknowledgements

Chapter 1: Some Basic Notions About Powder Diffraction

1.1. Crystallite, grain, polycrystal and powder

1.2. Bragg’s law and harmonic reflections

1.3. Geometric conditions of diffraction, Ewald sphere

1.4. Imperfect powders

1.5. Main diffraction line profile components

1.6. Peak profile parameters

1.7. Modeling of the diffraction peaks

1.8. Experimental geometry

1.9. Intensity calibration (flat-field)

1.10. Standard samples

1.11. Probed thickness (penetration depth)

Chapter 2: Structure Refinement by Diffraction Profile Adjustment (Rietveld Method)

2.1. Principle of the Rietveld method

2.2. Rietveld-based codes

2.3. Parameter modeling

2.4. Crystal structure databases

2.5. Reliability factors in profile refinements

2.6. Parameter exactness

2.7. The Le Bail method

2.8. Refinement procedures

2.9. Refinement strategy

2.10. Structural determination by diffraction

Chapter 3: Automatic Indexing of Powder Diagrams

3.1. Principle

3.2. Dichotomy approach

3.3. Criterions for quality

Chapter 4: Quantitative Texture Analysis

4.1. Classic texture analysis

4.2. Orientation distribution (OD) or orientation distribution function (ODF)

4.3. Distribution density and normalization

4.4. Direct and normalized pole figures

4.5. Reduced pole figures

4.6. Fundamental equation of quantitative texture analysis

4.7. Resolution of the fundamental equation

4.8. OD refinement reliability estimators

4.9. Inverse pole figures

4.10. Texture strength factors

4.11. ...