Combined orbital tomography study of multi-configurational molecular adsorbate systems

Original data files used for the publication:

Kliuiev, P., G. Zamborlini, M. Jugovac, Y. Gurdal, K. v. Arx, K. Waltar, S. Schnidrig, R. Alberto, M. Iannuzzi, V. Feyer, M. Hengsberger, J. Osterwalder and L. Castiglioni (2019).
"Combined orbital tomography study of multi-configurational molecular adsorbate systems."
Nature Commun. 10(1): 5255 (2019).
https://doi.org/10.1038/s41467-019-13254-7

All data taken from monolayer Co-Pyrphyrin and Pyrphyrin adsorbed on Ag(110)

*********************** Fig. 2   LEED images: ***********************
Taken with MCP amplified LEED (sample current typ. 0.2 nA) from OCI Vacuum Microengineering Inc.

LEED Pyr_Ag110_20161117__29ev_1.png     Pyr/Ag(110), taken at E=29 eV  Raw Data
pyr_ag110_29ev_simulation.pdf            Pyr/Ag(110) processed data at 29 eV with simulated pattern

LEED CoPyr_Ag110_20161122__32ev_7.png    CoPyr/Ag(110), taken at E=32 eV  Raw Data
copyr_ag110_32ev_simulation.pdf           CoPyr/Ag(110) processed data at 32 eV with simulated pattern

********************* Fig. 3   angle-integrated valence band spectra ***************************
Format:  ASC-II data <Energy, Intensity> extracted by integration at each kinetic energy over full images.
x,y coordinates correspond to detector pixels. The ring gives the momentum scale of 2 Å^-1

Data were taken at fixed kinetic electron energy (specified)
Photon Energy  35 eV, p-polarized, incidence angle 25 deg with respect to surface plane

CoPyr2016_09_03_013_ARPES_ROI.txt    Valence band CoPyr/Ag(110)   hv=35 eV
Pyr_2016_09_05_135_ARPES_ROI.txt    Valence band Pyr/Ag(110)   hv=35 eV

*********************** Fig. 4   ARPES (PEEM) images ***********************

All data taken at NanoESCA Beamline, Elettra Synchrotron, Trieste, Italy - beamtime September 2016.
Format:  Raw ASC-II data <Intensity(x,y)> extracted from original raw data files (proprietary format) and saved as 2D table.
x,y coordinates correspond to detector pixels. The ring gives the momentum scale of 2 Å^-1

Data were taken at fixed kinetic electron energy (specified)
Photon Energy  35 eV, p-polarized, incidence angle 25 deg with respect to surface plane
Integration time 120 x 5 s (CoPYr/Ag), 80 x 5 s (Pyr/Ag), final image averaged over 120 images

The molecular states mapped are labelled by the numbers given in the publication (cf. Figs. 3, 4)

CoPyr/Ag(110)
PEEM_CoPyr_hv35eV_ppol_KE2715eVAVG.txt    "cp.i", Ekin=27.15 eV (#40)
PEEM_CoPyr_hv35eV_ppol_KE2825eVAVG.txt    "cp.ii", Ekin=28.25 eV (#41)
PEEM_CoPyr_hv35eV_ppol_KE2865eVAVG.txt  "cp.iii", Ekin=28.65 eV (#42)
PEEM_CoPyr_hv35eV_ppol_KE2940eVAVG.txt    "cp.iv", Ekin=29.4 eV (#43)
PEEM_CoPyr_hv35eV_ppol_KE2975eVAVG.txt    "cp.v", Ekin=29.75 eV (#44)

Pyr/Ag(110)
PEEM_Pyr_hv35eV_ppol_KE2700eVAVG.txt    "p.i", Ekin=27.0 eV (#146)
PEEM_Pyr_hv35eV_ppol_KE2830eVAVG.txt    "p.ii", Ekin=28.3 eV (#147)
PEEM_Pyr_hv35eV_ppol_KE2885eVAVG.txt    "p.iii", Ekin=28.85 eV (#148)