Powder Diffraction at Stockholm University

Powder diffraction. Swedness course 7.5 credits. Spring 2019
Stockholm University

21 February – 25 March 2019.  

Registration is closed!

Description: This course targets masters and PhD students in the fields of chemistry, physics, and engineering interested in learning and applying neutron and X-ray powder diffraction. The course contains a project part worth 3.5 credits. The theory part deals with principles of crystallography (description and analysis of crystal structures, symmetry, lattices and space groups, relations between crystal structures) and principles of diffraction. The project part focuses on the application of powder diffraction to real data sets and tackles structure solution and strategies for Rietveld refinement. 

Learning goal: the student should obtain a good understanding of the principles of diffraction and the application of diffraction techniques for phase and structural analysis of crystalline materials. The aim of the project part is to provide the student with tools and experience to independently perform advanced analysis of powder diffraction data. 

Course Main Content

  • General principles of neutron and X-ray diffraction, Bragg’s law
  • Crystallography, crystalline solids, crystal structure, symmetry.  
  • Determination of structure from diffraction data. Structure factors, form factors, atomic displacement parameters, the phase problem. Single crystal vs. powder diffraction, the indexing problem. Structure solution and refinement strategies for crystalline materials.
  • Neutron diffraction (elastic neutron scattering). Differences to X-ray diffraction, magnetic structure. Complementary of X-ray and neutron diffraction for structural studies.
  • Application (project part). Praxis of powder X-ray and powder neutron diffraction data collection. Indexing of powder patterns, extracting crystal structures from powder diffraction data. Rietveld refinement.

Recommended literature includes:

  • Fundamentals of Powder Diffraction and Structural Characterization of Materials
    2nd Edition, V. K. Pecharsky and P. Y. Zavalij, Springer 2009.
  • Applications of neutron powder diffraction, EH Kisi, CJ Howard, Oxford 2008

Examination & Requirements for final grade
Theory:         Pass exam  + 80% attendance
Project:          Hand in written report + make oral presentation
Grading Scale: Pass/Fail

Ulrich Häussermann                  E-mail: Ulrich.Haussermann@mmk.su.se