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Statistical analysis of electron-induced switching of a spin-crossover complex

Jonas Fußangel1, Björn Sothmann1, Sven Johannsen2, Sascha Ossinger3, Felix Tuczek3, Richard Berndt2, Jürgen König1, and Manuel Gruber1,*

  • *Contact author: manuel.gruber@uni-due.de
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Phys. Rev. B 112, 235426 – Published 22 December, 2025

DOI: https://doi.org/10.1103/bkxj-2gvp

Abstract

Spin-crossover complexes exhibit two stable configurations with distinct spin states. The investigation of these molecules using low-temperature scanning tunneling microscopy has opened new perspectives for understanding the associated switching mechanisms at the single-molecule level. While the role of tunneling electrons in driving the spin-state switching has been clearly evidenced, the underlying microscopic mechanism is not completely understood. In this study, we investigate the electron-induced switching of [Fe(H2B(pz)(pypz))2] (pz = pyrazole, pypz = pyridylpyrazole) adsorbed on Ag(111). The current time traces show transitions between two current levels corresponding to the two spin states. We extract switching rates from these traces by analyzing waiting-time distributions. Their sample-voltage dependence can be explained within a simple model in which the switching is triggered by a transient charging of the molecule. The comparison between experimental data and theoretical modeling provides estimates for the energies of the lowest unoccupied molecular orbitals, which were so far experimentally inaccessible. Overall, our approach offers new insights into the electron-induced switching mechanism and predicts enhanced switching rates upon electronic decoupling of the molecule from the metallic substrate, for example by introducing an ultrathin insulating layer.

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Outline

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Phys. Rev. B 112, 235426– Published 22 December, 2025
  • Received 16 June 2025
  • Revised 17 November 2025
  • Accepted 2 December 2025
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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