Dataset of photoemission valence-band mapping and band reconstruction of 2H-WSe2
Creators
- 1. Fritz Haber Institute of the Max Planck Society
- 2. Max Planck Institute for Intelligent Systems
Description
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 1000 3D detector 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 data were 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-WSe2 calculated 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 and preprocessed 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 the source code and examples on GitHub (https://github.com/mpes-kit/fuller).
