Published June 29, 2023 | Version v1
Dataset Open

Dataset supporting the paper "Large Orbital Moment of Two Coupled Spin‑Half Co Ions in a Complex on Gold. ACS Nano 17, 10608 (2023)"

  • 1. Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, 24098 Kiel, Germany
  • 2. Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), 20018 Donostia-San Sebastián, Spain
  • 3. Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), 20018 Donostia-San Sebastián, Spain; Donostia International Physics Center (DIPC), 20018 Donostia-San Sebastian, Spain
  • 4. Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany
  • 5. Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, 24098 Kiel, Germany; Ruprecht Haensel Laboratory, Deutsches Elektronen-Synchrotron DESY, 22607 Hamburg, Germany
  • 6. Istituto di Struttura della Materia (ISM), Consiglio Nazionale delle Ricerche (CNR), 34149 Trieste, Italy
  • 7. Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland
  • 8. Synchrotron SOLEIL, 91190 Saint Aubin, France
  • 9. Centro de Química Estrutural, Institute of Molecular Sciences, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal
  • 10. Faculty of Physics and CENIDE, University of Duisburg-Essen, 47057 Duisburg, Germany

Description

Dataset corresponding to theoretical calculations in the paper "Large Orbital Moment of Two Coupled Spin‑Half Co Ions in a Complex on Gold" ACS Nano 17, 10608 (2023), https://pubs.acs.org/doi/10.1021/acsnano.3c01595

List of files:

Several folders corresponding to the figures of the paper. They contain:
.siesta files: STM images in WsXM format (http://www.wsxm.eu/) simulated using STMpw (https://doi.org/10.5281/zenodo.3581159).
CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/).
.agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).

Files

ACSNano_17_10608_2023_data.zip

Files (20.0 MB)

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Additional details

Related works

Cites
Software: 10.5281/zenodo.3581159 (DOI)
Is supplement to
Journal article: 10.1021/acsnano.3c01595 (DOI)

Funding

European Commission
ESiM - Energy Storage in Molecules 101046364