An open-source, end-to-end workflow for multidimensional photoemission spectroscopy

TL;DR

This paper presents an open-source, comprehensive workflow for processing multidimensional photoemission spectroscopy data, enabling rapid, high-throughput materials characterization and data management from billion-count electron events.

Contribution

It introduces a novel open-source end-to-end workflow for analyzing large-scale photoemission data, compatible with various light sources and setups, facilitating efficient band mapping and data archiving.

Findings

Supports high-rate single-electron event processing

Enables rapid band mapping and materials characterization

Provides infrastructure for data provenance and reuse

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 $3^{\text{rd}}$ and $4^{\text{th}}$ 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.