Course Number 0581-5131-01
Course Name X-Ray Crystallography
Academic Unit Faculty of Engineering -
Materials Science and Engineering
Lecturer Dr. Semen GorfmanContact
Contact Email:
Office Hours By appointmentBuilding: Wolfson Mechanical Engineering , Room: 129
Mode of Instruction Lecture
Credit Hours 3
Semester 2020/1
Day Thu
Hours 16:00-19:00
Course is taught in English
Syllabus Not Found

Short Course Description

Tentative topics of the lectures

Lecture 1: Generation, properties and scattering of X-rays. History and physical principles of generation of X-rays. Typical wavelengths, characteristic and continuous parts of the X-ray spectrum.

Lecture 2. Mathematical description of electromagnetic waves and their interference. Scattering of X-rays by electrons. Polarization factor. Scattering of X-rays by atoms. Atomic scattering factors. Scattering of X-rays by molecules. Investigation of structures of diatomic molecules by X-ray scattering.

Lecture 3. Kinematical theory of X-ray diffraction: DIffraction of X-rays by crystals. Laue interference function. Structure factor. Reciprocal space. Ewald sphere.

Lecture 4. Experimental methods of X-ray diffraction by crystals. Rocking curve. Rotation photographs. Laue diffraction. Powder diffraction. Electron diffraction and neutron scattering.

Lecture 5. Instruments and detectors: single crystal and powder diffractometers, Bragg-Brentano geometry, monochromator, detection of X-rays. Structural, microstructural and instrumental contributions to the X-ray diffraction.

Lecture 6. Geometrical methods of structure analysis: reconstruction of reciprocal space, determination of crystal orientation, indexing of reflections, identifying Bravais types of lattices and determination of lattice parameters.

Lecture 7. Space group determination: 230 space groups, the relationship between space groups and structure factors. Systematic extinctions. International Tables for X-ray crystallography, Volume A. Friedel?s law.

Lecture 8. Structure analysis of centrosymmetric and non-centrosymmetric crystals: Intensity statistics. Application of resonant scattering.

Lecture 9. Solutions of the phase problem of X-ray crystallography: trial structures, Fourier synthesis. Patterson function. History and development of the direct methods for the solution of the phase problem.

Lecture 10. Thermal motion and structural disorder: Thermal displacement of atoms in crystals. Debye-Waller factors. Static disorder. Average and local structures of crystals.

Lecture 11. Structure refinement and least-square minimization algorithms: Single crystal and powder structure refinement. Introduction to Rietveld refinement.

Leture 12. Materials analytics using synchrotron radiation: generation and properties of synchrotron radiation. The advantage of synchrotron radiation over the laboratory X-ray sources. Typical research at synchrotrons.

Recommended literature:

[1]. Marc De Graef and Michael E. McHenry. Structure of Materials. An Introduction to Crystallography, Diffraction and Symmetry. Cambridge University Press. 2012

[2]. Christopher Hammond. The basics of crystallography and diffraction. Cambridge University Press. 2012.

[3]. Carnelio Giacovazzo. Fundamentals of Crystallography. Oxford University Press, 1992

[4]. International Tables for Crystallography, Volume B. International Union of Crystallography, 2016.

Full syllabus is to be published
Course Requirements

Final Exam

Students may be required to submit additional assignments
Full requirements as stated in full syllabus

PrerequisiteIntroduction to Crystallo (05814132)

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