An open-source, end-to-end workflow for multidimensional photoemission spectroscopy
R. Patrick Xian, Yves Acremann, Steinn Ýmir Ágústsson, Maciej Dendzik, Kevin Bühlmann, Davide Curcio, Dmytro Kutnyakhov, Federico Pressacco, Michael Heber, Shuo Dong, Tommaso Pincelli, J. Demšar, W. Würth, Philip Hofmann, Martin Wolf, Markus Scheidgen, Laurenz Rettig, Ralph Ernstorfer
Abstract
Characterization of the electronic band structure of solid state materials is routinely performed using photoemission spectroscopy. Recent advancements in short-wavelength light sources and electron detectors give rise to multidimensional photoemission spectroscopy, allowing parallel measurements of the electron spectral function simultaneously in energy, two momentum components and additional physical parameters with single-event detection capability. Efficient processing of the photoelectron event streams at a rate of up to tens of megabytes per second will enable rapid band mapping for materials characterization. We describe an open-source workflow that allows user interaction with billion-count single-electron events in photoemission band mapping experiments, compatible with beamlines at 3rd and 4rd generation light sources and table-top laser-based setups. The workflow offers an end-to-end recipe from distributed operations on single-event data to structured formats for downstream scientific tasks and storage to materials science database integration. Both the workflow and processed data can be archived for reuse, providing the infrastructure for documenting the provenance and lineage of photoemission data for future high-throughput experiments.