שיטות מתקדמות בדיפרקציית אבקות        0581.5237 

Language: the course will be given in English. The homework must be submitted in English.

The goal of this course: the course illustrates the main diffraction techniques to study powder/polycrystalline materials. At the end of this course, the student should have the competence to design a diffraction experiment and interpret the powder diffraction patterns.

Prerequisites: Introduction to crystallography and structure analysis

Format of the Course: the lectures are theoretical lessons (6 classes, 12 hours) and practical lessons (5 classes, 15 hours). At the end of the practical lessons, a report will be request and submitted individually. 2 weekly hours per semester, amounting to 2 credit points.

Program of lectures and practical lessons:

1. Instrumental:
   1. Diffractometer geometry: Parallel beam, Brag Brentano; Flat sample-capillary, Grazing incidence diffraction, High-Resolution Diffraction
   2. Optimization of data collection: Optic; Detectors
2. Data analysis
   1. Data reduction: Background stripping, Profile smoothing
   2. Profile analysis: Instrumental broadening, Grain size and microstrain
   3. Qualitative analysis: PDF database, Search match algorithm
3. Structural analysis
   1. Whole Profile fitting: Cell determination, Cell parameter refinement
   2. Rietveld method and its application
   3. Quantitative analysis
4. Introduction to the structural resolution
   1. Cell indexing
   2. Direct method
   3. Simulated annealing
5. Not- conventional technique
   1. Synchrotron light and neutron diffraction
   2. Pair Distribution Function Approach (PDF)
6. Thin Film Analysis
   1. Rocking curve and texture analysis
7. Instrumentation and sample preparation (practical):
   1. X-ray tube
   2. Optics
   3. Detectors
   4. Flat-plane sample
   5. Capillary
8. Computer exercise on data analysis (practical):
   1. Data reduction
   2. Qualitative analysis
   3. Quantitative analysis
9. Computer exercise on Rietveld method (practical)
   1. Whole profile Fitting
   2. Structure refinement
   3. Quantitative analysis
10. Computer exercise on structure resolution (practical)
    1. Structure determination of easy phase from scratch
11. Exercise on thin film samples
    1. Data collection
    2. Data analysis

Recommended text:

                Powder diffraction : theory and practice; Dinnebier, Robert E.; Billinge, S. J. L.

Introduction to X-ray powder diffractometry; Jenkins, Ron

Thin film analysis by X-ray scattering; Birkholz, Mario-- Fewster, Paul F. Genzel, Christoph