Magnetic Structure Determination from Neutron Diffraction Data, July 22-25, 2024
Monday July 22, 2024
Time | Event | Presenter |
|---|---|---|
8:30 – 9:00am | Registration/Breakfast |
|
9:00 – 9:30am | Welcome and workshop overview | TBD (KSU) |
9:30-10:30am | Overview of ORNL neutron facilities and instruments | Clarina dela Cruz |
10:30 – 10:45am | Break |
|
10:45 -11:15 | Proposal writing for neutron beamtime at ORNL | Clarina dela Cruz |
11:15 – 12:30 | Neutron scattering as a tool for magnetic structure determination (Magnetic structure factors, form factors, k-vector & experimental techniques) | William Ratcliff |
12:30– 1:30 pm | Working LUNCH: Overview of software tools for magnetic diffraction | Ovi Garlea |
1:30 – 2:30 pm | Magnetic symmetry-based modeling of magnetic structures | J. Manuel Perez-Mato |
2:30 – 3:45pm | Representation theory in magnetic Structure Analysis/ Representation theory vs Magnetic Space group approach. | Branton Campbell |
3:45 – 4:00pm | Break |
|
4:00 – 5:15 pm | Hands on demonstration of Bilbao Crystallographic server: MAXMAGN, MVISUALIZE, k-SUBGROUPSMAG, MAGNDATA database etc | J. Manuel Perez-Mato |
5:15 – 6:15 pm | Introduction to Fullprof / | Stuart Calder |
Tuesday July 23, 2024
Time | Event | Presenter |
|---|---|---|
8:30 – 9:00 am | Breakfast snack /Questions from previous day | Everyone |
9:00 – 10:00 am | Hands-on example of Fullprof refinement of commensurate structures from CW powder diffraction data [Fullprof/Bilbao Magnetic Space Groups] -part 2 | Stuart Calder |
10:00 – 10:15 am | Break |
|
10:15 -11:30 pm | Hands-on example: Fullprof refinement of commensurate structure from TOF data (Fullprof/ magnetic space group approach (BCS)) | Qiang Zhang |
11:30 – 12:00 pm | Multi-k magnetic structures from powder data -part1 | Ovi Garlea |
12:00 – 1:00 pm | Working LUNCH (Lightning science talks) |
|
1:00 – 1:45 pm | Multi-k magnetic structures from powder data - part 2 | Ovi Garlea |
1:45 – 3:00 pm | Hands-on example: Fullprof refinement of single crystal data (commensurate structure with magnetic space group approach) | Huibo Cao |
3:00 – 3:30 pm | Multi- magnetic domains and multi-k magnetic structure in fitting single-crystal data | Huibo Cao |
3:30–3:45 pm | Break |
|
3:45 – 5:15 pm | Introduction to ISOTROPY and hands-on examples | Branton Campbell |
5:15–5:45pm | Demonstration: AMPLIMODES refinement with Fullprof [Fullprof & isotropy] | Ovi Garlea |
5.45 – 6.00pm | Student questions from the day | EVERYONE |
Wednesday July 24, 2024
Time | Event | Presenter |
|---|---|---|
8:30 – 9:00 am | Breakfast snack / Questions from previous day | Everyone |
9:00 – 10:30 am | Hands-on example: Example of Fullprof refinement of commensurate structures from CW powder diffraction data [Fullprof & SARAh] | Stuart Calder |
10:30 -10:45 am | BREAK |
|
11:00 am -12:00 | Symmetry of incommensurate magnetic structures: magnetic superspace groups/ Isotropy examples | Branton Campbell |
12:00 -1:00pm | LUNCH (Sample environment available on diffraction instruments) |
|
1:00 – 2:30 | Fullprof incommensurate structure from powder data (superspace group) | Ovi Garlea |
2:30 – 4:00 pm | Hands-on example: Fullprof refinement for incommensurate magnetic structures from CW powder data (basis vectors/irreps) | Ovi or Stuart Calder |
4:00 – 4:15 pm | Break |
|
4:15 – 5:45 pm | Fullprof refinement of single crystal data (incommensurate structure with irrep approach) | Huibo Cao |
5.45 – 6.00pm | Student questions from the day | EVERYONE |
Thursday July 25, 2024
Time | Event | Presenter |
|---|---|---|
8:30 – 9 am | Breakfast snack / Questions from previous day | Everyone |
9:00 – 9:45 am | Fullprof: Future developments. Questions and discussions | Juan Rodríguez-Carvajal |
9:45 – 10:45 am | How to report magnetic structures in publications and submit mcif files to MAGNDATA (tutorial) | J. Manuel Perez-Mato |
10:45 – 11:00 am | Break |
|
11:00 – 12:00 am | Prepare a mcif files from a publication on your own (groups working independently on examples of published structures) – part1 | J. Manuel Perez-Mato /Everyone |
12:00 – 1:00 pm | Working Lunch (mCIF and MAGNDATA discussion) |
|
1:00 – 1:30 pm | Prepare a mcif file from a publication on your own (groups working independently on examples of published structures)- part2 | J. Manuel Perez-Mato /Everyone |
1:30 – 2:15 pm | Introduction to GSAS-II/ Magnetic structure in GSAS-II & k-search | Yuanpeng Zhang |
2:15 – 3:45pm | Example of GSAS-II refinement of magnetic structure from CW powder data | Keith Taddei |
3:45 - 4:00 pm | Break |
|
4:00 – 5:30pm | Example of GSAS-II refinement of magnetic structure from TOF data | Qiang Zhang |
5:30–6:00pm | CLOSEOUT: Questions and discussion | EVERYONE |
