Substrate Polarization Alters the Jahn-Teller Effect in a Single Molecule.

Authors

Moritz Frankerl, Laerte L Patera, Felix Giselbrecht, Thomas Frederiksen, Jascha Repp, Andrea Donarini

Published in

Physical review letters. Volume 134. Issue 17. Pages 176203. May 02, 2025.

Abstract

Charge-state transitions of a single Cu-phthalocyanine molecule adsorbed on an insulating layer of NaCl on Cu(111) are probed by means of alternate charging scanning tunneling microscopy. Real-space imaging of the electronic transitions reveals the Jahn-Teller distortion occurring upon formation of the first and second anionic charge states. The experimental findings are rationalized by a theoretical many-body model that highlights the crucial role played by the substrate. The latter enhances and stabilizes the intrinsic Jahn-Teller distortion of the negatively charged molecule hosting a degenerate pair of single-particle frontier orbitals. Consequently, two excess electrons are found to occupy, in the ground state, the same localized orbital, despite a larger Coulomb repulsion than the one for the competing delocalized electronic configuration. Control over the charging sequence by varying the applied bias voltage is also predicted.

PMID:
40408705
Bibliographic data and abstract were imported from PubMed on 24 May 2025.

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