Single crystal analysis of frustrated magnetic systems, using the world's leading powder diffraction instrument
WISH is the world's leading powder diffraction instrument, with excellent resolution making it applicable to a broad range of sciences.
Equipped with a vast array of 2D detectors, WISH also has the potential to be a world leading single crystal instrument. Whereas the data collected from powder samples can be easily focussed into a few single patterns and subsequently analysed, single crystal data require much more processing, modelling and data mining which hampers rapid publication. Existing solutions have enabled some high quality publications but still require huge effort on each experiment.
We would like to extend the use of WISH to cover robust single crystal analysis of diffuse scattering and weak Bragg peak data with in-situ measurements to extend our fundamental understanding of frustrated magnetic systems. This matches our scientific expertise very well and the work undertaken will also be of benefit to other areas of science (large molecules crystallography) owing to the automated processing and analysis.
On WISH, each dataset is 20 gigabytes and for a single temperature/magnetic field, the number of required orientations typical varies between 3 to 20. All these runs have to be corrected, merged (diffuse scattering) or searched for weak peaks.
Supervisors: Dr Sean Giblin and Dr Pascal Manuel.