Disentangling bulk and surface electronic structure using targeted cleave planes in RuO2 (dataset)

The data are experimental angle-resolved photoemission spectroscopy (ARPES) data, and theoretical calculation data.

The ARPES data encode photoemission intensity as a function of energy and momentum, measured at the Bloch beamline, MAX-IV, and were saved in Igor Binary Wave format. They can be loaded with the open source peaks package (https://research.st-andrews.ac.uk/kinggroup/peaks/latest/).

The theoretical calculation data are saved in plain-text format files. The bulk Fermi surface calculations (with extension ‘.bxsf’) are text files that consist of a description of the used momentum mesh, and the energy eigenvalues of the calculated bands on the grid. In the Fermi surface projection files, the first two columns contain the momentum grid, and the third column contains the values of the spectral function. The files containing the 2D cuts through the Fermi surface have a similar format, but the last column contains the energy eigenvalues. The projected band structure calculations and surface Green’s function calculations are saved in text files, in which the first column contains the momentum grid, the second the energy grid and the third the bulk projected or surface spectral function. The slab DFT calculations are each saved in two files: one with the energy eigenvalues and one with the projection weights. The first line in these files indicates the number of bands and k-points, after which a row with the momentum coordinates and a row with the eigenvalues or projections weights at that k-point are written.

Two Jupyter notebooks are included to reproduce the figures in the main and supplementary text from the ARPES raw data files and the calculation data.