The aim of the course is to introduce students to the interaction of X-ray and matter, with application into structural characterization. Students will learn to interpret complex scattering/diffraction patterns, the nuts and bolts of X-ray instrumentation, and the science behind (and practical aspects of) data collection, correction and analysis. The course is aimed at (primarily, but not exclusively) students who are likely to become expert users of the X-ray facilities at ISTA, or who need deeper understanding of structural characterization. The focus and the advanced topics can be tailored to the student's needs and interested (balance between powder/single crystal XRD or SAXS aspects, inorganic/organic/biomolecular focus, types of data processing, learning opportunities in assignment).
Lectures:
1. Interaction of X-rays with matter. Elastic scattering, atomic form factors.
2. Scattering at phase boundaries. Form factor of nanoparticles, pores and biomolecules.
3. Scattering in crystals. Structure factor, most common crystal lattices. Miller indices.
4. Non-idealities in diffraction/scattering data: domain size, strain, occupation, disorder, convolution, peak shapes.
5. Instrumentation: laboratory sources, optics, detectors. Synchrotrons.
6. Dealing with data: range, resolution, corrections, information content.
7. Dealing with data: peak-based analysis of XRD patterns & Rietveld-refinement (XRD).
8. Dealing with data: fitting models to SAXS data & shape retrieval from SAXS data.
9. Dealing with data: extra time.
10. Advanced topics, e.g. anomalous scattering/diffraction, MAD, X-ray absorption fine structure.
11. Advanced topics, e.g. inelastic scattering.
12. Extra time, discussions.
Practicals:
1. Refractive index and form factor calculations in Matlab/Python/etc.
2. Structure factor calculations manually and in Vesta or similar software.
3. Data collection: XRD.
4. Data collection: SAXS.
5. Working on the collected data.
6. Working on the collected data.
Target group: current or prospective users of the X-ray facilities who need deeper understanding of the theory, instrumentation, and data processing and interpretation
Prerequisites: fundamental understanding of atoms and crystals (e.g. introductory courses on Structure of Matter, Solid-state Physics, Mineralogy, Inorganic Chemistry)
good understanding of waves (e.g. higher-level BSc courses on Solid State or Condensed Matter Physics, Electromagnetism, Optics, Spectroscopy)
Evaluation: participation, some homework, report on assignment
Teaching format: Lectures (2x a week), Practicals/recitations (1x a week), report on data analysis
ECTS: 3 Year: 2024
Track segment(s):
Elective
Teacher(s):
Daniel Balazs
Teaching assistant(s):
- Trainer/in: Daniel Balazs