The optical absorption in semiconductor to semimetal PtSe2 arises from direct transitions - Supporting data

Data supporting the findings of the work: M. Tharrault, S. Ayari, E. Desgué, M. Arfaoui, R. Le Goff, P. Morfin, J. Palomo, M. Rosticher, S. Jaziri, B. Plaçais, P. Legagneux, F. Carosella, C. Voisin, R. Ferreira and E. Baudin, The optical absorption in semiconductor to semimetal PtSe2 arises from direct transitions, arXiv:2311.01847 [cond-mat.mtrl-sci], https://doi.org/10.48550/arXiv.2311.01847 The sample names in this study match those used in the Raman spectroscopy focused study https://arxiv.org/abs/2307.15520. Data from that study can be accessed at https://doi.org/10.5281/zenodo.8256907. See the Supplemental Material for extra details. Files available: Optical absorption spectroscopy.zip: reflectance, transmittance, real and imaginary 2D optical conductivity for exfoliated and MBE samples. Differential reflectance with temperature.zip: differential reflectance Delta R / R pour 4 exfoliated thin samples and temperatures from 300K to 440K. Layers label attribution.txt: number of layers for each sample. Selected samples fig1.txt: list of samples displayed in the figure 1 of the publication. Band diagrams.zip: Band diagrams for GGA-computed 1-12L and AB stacked bilayers as well as GW-computed 1L and the k-points path used for the diagrams. Optical conductivity DFT.zip: real 2D optical conductivity and jDOS computed using GGA-IPA for 1-12L and AB stacked bilayers. Optical absorption 1L many-body.csv: GGA-IPA, GW-IPA and GW-BSE real 2D optical conductivities for the monolayer. Atomic orbitals decomposition.zip: band diagrams and the corresponding orbital components, as displayed in Supplemental Material. Electronic bandgap correction.txt: GGA computed bandgaps and corrected by the energy shift.