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一种用于多维光发射光谱学的开源端到端工作流程。

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

作者信息

Xian R Patrick, Acremann Yves, Agustsson Steinn Y, Dendzik Maciej, Bühlmann Kevin, Curcio Davide, Kutnyakhov Dmytro, Pressacco Federico, Heber Michael, Dong Shuo, Pincelli Tommaso, Demsar Jure, Wurth Wilfried, Hofmann Philip, Wolf Martin, Scheidgen Markus, Rettig Laurenz, Ernstorfer Ralph

机构信息

Fritz Haber Institute of the Max Planck Society, 14195, Berlin, Germany.

Laboratory for Solid State Physics, ETH Zurich, 8093, Zurich, Switzerland.

出版信息

Sci Data. 2020 Dec 17;7(1):442. doi: 10.1038/s41597-020-00769-8.

DOI:10.1038/s41597-020-00769-8
PMID:33335108
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7746702/
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 and 4 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.

摘要

固态材料电子能带结构的表征通常使用光电子能谱来进行。短波长光源和电子探测器的最新进展催生了多维光电子能谱，它能够在能量、两个动量分量以及其他物理参数方面同时对电子能谱函数进行并行测量，并具备单事件检测能力。以每秒高达数十兆字节的速率对光电子事件流进行高效处理，将能够实现用于材料表征的快速能带映射。我们描述了一种开源工作流程，该流程允许用户在光电子能谱能带映射实验中与数十亿计的单电子事件进行交互，适用于第三代和第四代光源的光束线以及基于桌面激光器的装置。该工作流程提供了一个端到端的方法，从单事件数据的分布式操作到用于下游科学任务和存储的结构化格式，再到材料科学数据库集成。工作流程和处理后的数据都可以存档以供重用，为记录光电子能谱数据的来源和谱系提供基础设施，以用于未来的高通量实验。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/263574164681/41597_2020_769_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/1c13d7fd472a/41597_2020_769_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/d80b7fa7b0eb/41597_2020_769_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/481eb51de03d/41597_2020_769_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/d49370da7dcf/41597_2020_769_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/263574164681/41597_2020_769_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/1c13d7fd472a/41597_2020_769_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/d80b7fa7b0eb/41597_2020_769_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/481eb51de03d/41597_2020_769_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/d49370da7dcf/41597_2020_769_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/51d5/7746702/263574164681/41597_2020_769_Fig5_HTML.jpg

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