Effect of Structural Disorder and Inhomogeneities on the Magnetic Phase Transitions in alpha-Li2IrO3 (thesis data)

Data for my PhD thesis "Effect of Structural Disorder and Inhomogeneities on the Magnetic Phase Transitions in alpha-Li2IrO3". Supervised by Dr Alexandra S. Gibbs. School of Chemistry.

Information on the files attached:
Diffraction - contains data from three beam times (HRPD at ISIS, I16 at Diamond, ID28 at the ESRF), single crystal diffraction data from St Andrews & Diamond, as well as laboratory PXRD data. Analysis of the HRPD and PXRD data was carried out in TOPAS. SCXRD was carried out in CrysAlisPro, and Olex2. ID28 data was analysed using a combination of CyrsAlisPro and bespoke ESRF software PorjectPOL32.

Local and Spectroscopic - contains data on electrochemical delithitation, EXAFS (Harwell XPS) and NEXAFS (B07 at Diamond), Solid State NMR, SEM and TEM (+ED), TGA (both St Andrews and MPI CPfS Dresden), and XPS (Harwell XPS). Analysis of electrochemical data, NEXAFS, TGA, and TEM data was carried out in Python. ED data accompanying the TEM data was analysed using Odpin. SSNMR data analysis can be carried out in Bruker TopSpin or using Mnova. For XPS data CasaXPS has been used.

Physical Properties - contains data on heat capacity measurements, the magnetic susceptibility, magnetic torque, as well as MuSR measurements (MuSR at ISIS). Heat capacity, and the magnetic susceptibility data were analysed using Python. Magnetic torque data was analysed in Matlab. MuSR data has been analysed in WiMDA.

Python Analysis - contains all the analysis scripts used during data processing.

The data files are embargoed until 19/05/2028