Dataset of photoemission valence-band mapping and band reconstruction of 2H-WSe2
DOI10.5281/zenodo.7314278Zenodo7314278MaRDI QIDQ6719153FDOQ6719153
Dataset published at Zenodo repository.
MacIej Dendzik, Laurenz Rettig, Christian Carbogno, Bernhard Schölkopf, Shuo Dong, R. Patrick Xian, Stefan Bauer, Ralph Ernstorfer, Vincent Stimper, Marios Zacharias, Samuel Beaulieu, Martin Wolf
Publication date: 11 November 2022
Copyright license: Creative Commons Attribution 4.0 International
Photoemission band mapping, band structure calculation, and reconstructed band dispersion of layered semiconductor 2H-WSe2, a type of 2D transition metal dichalcogenide. Provenance: The experimental data were measured using the SPECS METIS 10003Ddetector with extreme UV pulses centered at 21.7 eV as the photoemission light source. The samples were commercially purchased and directly used in the experiment. The calculated datawere converted and preprocessed from an existing record (http://dx.doi.org/10.17172/NOMAD/2020.03.28-1), which contains the band structure of 2H-WSe2calculated using density functional theory (DFT)at the level of LDA, PBE, PBEsol, and HSE06 exchange-correlation functionals using FHI-aims(version 171221_1). Content: The data contain binned andpreprocessed photoemission data;Preprocessed DFT calculations used for initializing the band reconstruction; Postprocessed band reconstruction data (including 14 identifiable valence bands). Usage: The dataset may be used for reproducing the results in (https://arxiv.org/abs/2005.10210), computational benchmarks or separately for other materials science applications. For reconstruction, see thesource code and examples on GitHub (https://github.com/mpes-kit/fuller).
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