FullProf Workshop

30 Sept 2024, 08:55 → 2 Oct 2024, 18:00 Europe/Berlin

GATE Garching

A three-day hands-on FullProf Workshop with Juan Rodriguez-Carvajal  (ILL) and Oscar Fabelo Rosa (ILL) will take place in Garching 30.9 -  2.10.2024.

Scientific scope
FullProf Workshop is an intensive hands-on session using the computer programs of the FullProf Suite. It aims to contribute to the training of scientists with different profile and background in treatment of X-ray and neutron diffraction data. The lectures and tutorials will provide the essential tools necessary for an efficient use of the FullProf Suite at an intermediate and upper intermediate level. In addition to general applications of Rietveld refinement, the new features on material structural analysis and magnetic structure determination and refinement will be considered.
Location and duration
FullProf Workshop will take place at gate - Garchinger Technologie- und Gründerzentrum GmbH (Lichtenbergstraße 8, 85748 Garching bei München) on 30.9 -  02.10.2024., from 09:00 till 17:00*.

*please refer to the timetable below
Participants
The school is intended for PhD students and experienced scientists with a basic knowledge on diffraction techniques and crystallography. Number of participants is limited to 30, the places are distributed per “first come, first served”. The participation is free of charge.
Preliminary/basic knowledge of FullProf is required, in exceptional case it is recommended to acquire themselves with FullProf manual in advance as well as to try following the online tutorials accessible via FullProf portal.
Lecturers and tutors
Dr. Juan Rodriguez-Carvajal (Institute Laue Langevin) – main author and contributor of FullProf
Dr. Oskar Fabelo (Institute Laue Langevin)
 

Monday 30 September

09:00 → 09:05 Welcome and organisational details

09:05 → 10:00 Lecture 1: Brief introduction to the FullProf suite. Overview of new features and capabilities.

10:00 → 10:30 Lecture 2: Magnetic structures. Description of magnetic structures using the formalism of propagation vectors. Symmetry analysis: Magnetic Space Groups and Representation theory.

10:30 → 10:50 Coffee break

10:50 → 12:30 (cont.) Lecture 2: Magnetic structures. Description of magnetic structures using the formalism of propagation vectors. Symmetry analysis: Magnetic Space Groups and Representation theory.

12:30 → 14:00 Lunch break (lunch at Gate)

14:00 → 15:30 Lecture 3: Options for analysing magnetic structures in FullProf. Utilities for magnetic space groups. Super space group formalism (nuclear and magnetic)

15:30 → 15:50 Coffee break

15:50 → 17:00 Tutorial

Introduction to Magnetic Structure determination LaMnO3
Different examples of Magnetic Structures: Ho2BaNiO5, DyMn6Ge6 and DyFeWO6

17:00 → 17:05 Day 1: closing remarks

18:00 → 16:00 Joint dinner at Garchinger Augustiner

Tuesday 1 October

09:00 → 10:30 Lecture 4: Microstructural studies, from mathematical foundations to real examples.

10:30 → 10:50 Coffee break

10:50 → 12:30 Tutorial

Introduction to Magnetic Structure determination LaMnO3
Different examples of Magnetic Structures: Ho2BaNiO5, DyMn6Ge6 and DyFeWO6
Study of the micro-structural effects by powder diffraction: Analysis of the spinel MgAl2O4 and Analysis of the phase transition on Nd2NiO4

12:30 → 14:00 Lunch break (lunch at Gate)

14:00 → 15:30 Lecture 5: Single crystal diffraction using FullProf. Data integration and reduction of single crystal data using Int3D, DataRed and nDataRed.

15:30 → 15:50 Coffee break

15:50 → 17:00 Tutorial

Use of FullProf for Single crystals: hybrid compounds
Single crystal multi-phase approach
Study of the micro-structural effects by powder diffraction: Analysis of the spinel MgAl2O4 and Analysis of the phase transition on Nd2NiO4

17:00 → 17:05 Day 2: closing remarks

Wednesday 2 October

09:00 → 10:30 Lecture 6: Introduction to FullProfAPP and examples.

Example: Quantitative analysis using FullProfAPP
Example: Sequential refinement using FullProfAPP

10:30 → 10:50 Coffee break

10:50 → 12:20 Tutorials and/or working with your own data

12:20 → 12:30 Day 3: closing remarks and wrap up

12:30 → 14:00 Lunch break (lunch at Gate)