Underneath the Bragg Peaks: Structural Analysis of Complex Materials
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Table of contents
- Cover
- Copyright Pageiv
- Contentsxi
- Series Prefacev
- Prefacevii
- Chapter 1. Structure of Complex Materials3
- 1.1. Crystallography and Beyond3
- 1.2. The Power of Total Scattering and PDF Methods11
- 1.3. Resources for Learning Total Scattering and PDF Methods21
- References21
- Selected Bibliography22
- Chapter 2. Crystallographic Analysis of Complex Materials25
- 2.1. Theoretical Background25
- 2.2. Crystallographic Analysis36
- 2.3. Crystallographic Methods and Disorder: Limitations of Crystallographic methods39
- Appendix 2.1. Scattering Cross-Section45
- Appendix 2.2. Sample Scattering Amplitude45
- Appendix 2.3. Diffraction Signature of Atomic Displacements48
- References49
- Selected Bibliography50
- Chapter 3. The Method of Total Scattering and Atomic Pair Distribution Function Analysis55
- 3.1. Total Scattering and the PDF55
- 3.2. Compositionally Resolved Partial PDF68
- 3.3. Magnetic Correlation Functions74
- 3.4. The PDF in Higher Dimensions77
- 3.5. Error Analysis for the PDF86
- Appendix 3.1. Derivation of the PDF91
- Appendix 3.2. Beevers–Lipson Strips93
- Appendix 3.3. Termination Error94
- Appendix 3.4. The X-Ray Absorption Fine Structure (XAFS) Method and the PDF Method96
- References98
- Chapter 4. Total Scattering Experiments103
- 4.1. General Considerations103
- 4.2. The Neutron Scattering Experiment105
- 4.3. The X-ray Scattering Experiment117
- References133
- Selected Bibliography133
- Chapter 5. Data Collection and Analysis137
- 5.1. Introduction137
- 5.2. Data Analysis Overview138
- 5.3. Obtaining S(Q) in Practice140
- 5.4. Real-World Data Analysis173
- Appendix 5.1. Data Analysis Equations Derived176
- Appendix 5.2. Absorption Corrections in Some Common Geometries191
- Appendix 5.3. Propagating Random Errors in the Data Analysis202
- Appendix 5.4. Data Corrections Example: Time of Flight Neutron: PDFgetN206
- References213
- Selected Bibliography215
- Chapter 6. Extracting Structural Information from the PDF219
- 6.1. Introduction219
- 6.2. Direct Information219
- 6.3. Modeling the PDF226
- 6.4. Additional Information and Advanced Modeling240
- References244
- Chapter 7. Dynamics of the Local Structure249
- 7.1. Measurement of Inelastic Scattering249
- 7.2. Dynamic Structure Factor255
- 7.3. Correlated Dynamics and the PDF260
- 7.4. The Dynamic Pair Correlation Function (DPCF)
- 7.5. Effect of Inelastic Scattering on the PDF264
- Appendix 7.1. Dynamic Structure Factor272
- References273
- Chapter 8. Structure of Well-Ordered Crystals277
- 8.1. PDF of Ideal and Distorted Perovskites277
- 8.2. Complex Periodic Structure: Antiferroelectric Lead Zirconate285
- References291
- Chapter 9. Defects, Nanocrystalline and Crystallographically Challenged Materials295
- 9.1. Lattice Defects and the PDF Method295
- 9.2. Defects in Well-Ordered Crystals296
- 9.3. Nanocrystals and Crystallographically Challenged Materials307
- 9.4. Chemical Short-Range Order330
- References333
- Chapter 10. Local Structure of Systems with Competing Interactions339
- 10.1. Mixed Ferroelectric Oxides339
- 10.2. Colossal Magnetoresistance (CMR) Manganites343
- 10.3. Superconducting Cuprates352
- References357
- Chapter 11. Phase Transitions361
- 11.1. Local Correlations and Phase Transitions361
- 11.2. Phase Transitions in Complex Materials364
- 11.3. Phase Transitions in Systems with Competing Interactions I: Relaxor Ferroelectricity367
- 11.4. Phase Transitions in Systems with Competing Interactions II: CMR Manganites371
- 11.5. Lattice Involvement in the Metal–Insulator Transition and the CMR Effect377
- 11.6. Phase Transition in Systems with Competing Interactions III: High-Tc Cuprates383
- References386
- Chapter 12. Concluding Remarks393
- Index395
* Introducing a unique method to study the atomic structure of nano-materials
* Award winning research. Takeshi Egami received the 2003 Eugene Bertram Warren Diffraction Physics Award for the work described in the book.
This book focuses on the structural determination of crystalline solids with extensive disorder. Well-established methods exist for characterizing the structure of fully crystalline solids or fully disordered materials such as liquids and glasses, but there is a dearth of techniques for the cases in-between, crystalline solids with internal atomic and nanometer scale disorder. Egami and Billinge discuss how to fill the gap using modern tools of structural characterization. While this subject might sound rather narrow, the fact is that today this problem is encountered in the structural characterization of a surprisingly wide range of complex materials of interest to modern technology and is becoming increasingly important.
* Award winning research. Takeshi Egami received the 2003 Eugene Bertram Warren Diffraction Physics Award for the work described in the book.
This book focuses on the structural determination of crystalline solids with extensive disorder. Well-established methods exist for characterizing the structure of fully crystalline solids or fully disordered materials such as liquids and glasses, but there is a dearth of techniques for the cases in-between, crystalline solids with internal atomic and nanometer scale disorder. Egami and Billinge discuss how to fill the gap using modern tools of structural characterization. While this subject might sound rather narrow, the fact is that today this problem is encountered in the structural characterization of a surprisingly wide range of complex materials of interest to modern technology and is becoming increasingly important.