PEM5113 - Advanced Techniques for Data Collecting and Analysis in X-Ray Diffractometry
Form professor
Prof. Dr. Paulo Atsushi Suzuki,
Prof. Dr. Fernando Vernilli Junior
Workload
| Theoretical |
Practical |
Study |
Duration |
Total |
Credits |
| 2 hours/week |
0 hours/week |
4 hours/week |
15 weeks |
90 hours |
6 |
See on Janus (pt-br)
Concentration area
97135 - Conventional and Advanced Materials
Objectives
The purpose of this course is to introduce and deepen the knowledge of the data acquisition and interpretation techniques of X-ray diffraction patterns in order to determine the crystal structures of materials.
Motivation
A better understanding of the crystal structure of materials and their relationship with the properties (mechanical, thermal, electrical, magnetic, optical) requires the use of improved techniques for the acquisition of high-quality data and the accurate interpretation of the results obtained by X-ray diffraction.
Syllabus
- The crystal structure: lattice, basis, space group.
- The X-ray diffraction technique
- Strategy for collecting high-quality data. Use of synchrotron radiation. Internal standard method.
- Factors related to the intensities: structure factor, multiplicity factor, Lorentz-polarization factor, Debye-Waller factor.
- Modelling functions: background, profile, surface roughness, preferred orientation.
- Crystal structure refinement. The Rietveld method. Refinable parameters. Interpretation of results. Agreement factors. Examples of structure refinement. Quantitative analysis.
Evaluation criteria
The evaluation consists of application of a single practical test with use of personal computer based in the refinement of a crystal structure using the Rietveld method.
Observations
It is recommended that the student has previously attended the Crystallography and X-ray Diffraction discipline (PEM 5106)
References
- B. D. Cullity e S. R. Stock, Elements of X-Ray Diffraction, 3rd ed., Prentice Hall, New Jersey (2001).
- H. P. Klug e L. E. Alexander, X-Ray Diffraction Procedures for Polycrystalline and Amorphous Materials, John Wiley, New York (1974).
- V. K. Pecharsky, Fundamentals of powder diffraction and structural characterization of materials, Springer, New York (2005).
- A. Craievich (ed.), Synchrotron Light: Applications and Related Instrumentation, v.1 e 2, World Scientific (1989).
- R. A. Young (ed.), The Rietveld Method, International Union of Crystallography, Oxford University Press (1993).
- C. O. Paiva-Santos, Aplicações do Método de Rietveld, Apostila, UNESP - Araraquara / SP.