DOI: 10.26165/juelich-data/6ug0ds
title: Data used in: Momentum-selective orbital hybridisation

description: We present here the raw data used to produce the figures in the publication Yang et al., Nature Communications 13, 5148 (2022) (DOI: 10.1038/s41467-022-32643-z). Unless explicitly stated, all metadata necessary to analyze the data is included in the files (or filenames) themselves and are self-explanatory. The raw data are placed in a separated folder for each figure or figure panel. Real space orbital representations are provided as standard Gaussian *.cube files (see: paulbourke.net/dataformats/cube). Photoemission data are provided as Hierarchical Data Format *.hdf5 files. Standard variable names in the hdf5 files are: data_*map : 2D image k*_array: array containing the dimension of the momentum map array in Angstrom. BE_array: array containing the binding energies of the band map array in electronvolt. If the same files are used in two different figures, they appear only once in this dataset. -------- Fig.1a: 5P_MO_102_LUMO.cube Fig.1a, Fig.2b, Fig.3b, and Fig.4b: kmap_5P_LUMO_0603015_BE0.22.hdf5 Fig.1a and Fig.2c: kmap_5P_LUMO_KE30.1_alongX.hdf5 Fig.1c: 5P_Cu110_0603014.csv, 6P_Cu110_0603001.csv, and clean_Cu110_0530001.csv Fig.2a and Supplementary Fig.7b: kmap_Cu110_082_BE0.23.hdf5 Fig.3a and Supplementary Fig.6c: kmap_Cu110_0530001_BE0.23.hdf5 Fig.4a and Supplementary Fig.8a: 5P_Cu110_25lay_a3.61_BE0.22.hdf5 Fig.4c and Supplementary Fig.8d: bandmap_5P_Cu110_25lay_a3.61_P1-10.hdf5 Fig.4d and Supplementary Fig.8e: bandmap_5P_Cu110_25lay_a3.61_P001.hdf5 Fig.4f: 5P_Cu110_2530_planeaveraged.csv Supplementary Fig.1: 5P_Cu(110)_15eV_vertical_2016-06-03-15-30-21.390.tif, 6P_Cu(110)_14eV_horizontal_2016-05-30-13-48-56.781.tif, and Cu(110)_101eV_vertical_2016-06-02-08-42-22.156.tif Supplementary Fig.2a: kmap_Cu110_082_BE0.13.hdf5 Supplementary Fig.2b and Supplementary Fig.3b: kmap_6P_LUMO_0603002_BE0.12.hdf5 Supplementary Fig.2c: kmap_6P_LUMO_KE30.2_alongX.hdf5 Supplementary Fig.3a: kmap_Cu110_0530001_BE0.13eV.hdf5 Supplementary Fig.4a: bandmap_5P_Cu110_0603014_Y1-10.hdf5 Supplementary Fig.4b,e,h: kmap_5P_Cu110_0603014_BE0.12.hdf5 Supplementary Fig.4c,f,i: kmap_5P_Cu110_0603014_BE0.22.hdf5 Supplementary Fig.4d: bandmap_5P_Cu110_0603014_GammaPrime1-10.hdf5 Supplementary Fig.4g: bandmap_5P_Cu110_0603014_Gamma1-10.hdf5 Supplementary Fig.5a: bandmap_6P_Cu110_0603001_Y1-10.hdf5 Supplementary Fig.5b,e,h: kmap_6P_Cu110_0603001_BE0.11.hdf5 Supplementary Fig.5c,f,i: kmap_6P_Cu110_0603001_BE0.21.hdf5 Supplementary Fig.5d: bandmap_6P_Cu110_0603001_GammaPrime1-10.hdf5 Supplementary Fig.5g: bandmap_6P_Cu110_0603001_Gamma1-10.hdf5 Supplementary Fig.6a: bandmap_Cu110_0530001_Y1-10.hdf5 Supplementary Fig.6b: kmap_Cu110_0530001_BE0.10.hdf5 Supplementary Fig.7a: kmap_Cu110_25lay_a3.61_BE0.22.hdf5 Supplementary Fig.7c: bandmap_Cu110_25lay_a3.61_Y1-10.hdf5 Supplementary Fig.7d: bandmap_Cu110_25lay_a3.61_Y001.hdf5 Supplementary Fig.7f: Cu110_2515_planeaveraged.csv Supplementary Fig.8b: bandmap_5P_Cu110_25lay_a3.61_PPrime1-10.hdf5 Supplementary Fig.8c: bandmap_5P_Cu110_25lay_a3.61_PPrime001.hdf5 Supplementary Fig.8f: bandmap_5P_Cu110_25lay_a3.61_Y1-10.hdf5 Supplementary Fig.8g: bandmap_5P_Cu110_25lay_a3.61_Y001.hdf5