English

Controlling spin-$\frac 12$ antiferromagnetic interaction strength in nanographene dimers

Mesoscale and Nanoscale Physics 2026-05-26 v1 Other Condensed Matter

Abstract

We demonstrate that the effective spin-exchange coupling JJ in open-shell nanographene dimers can be precisely tuned via tip-induced dehydrogenation of selected carbon atoms. Using the double ionization potential equation-of-motion coupled-cluster singles and doubles (DIP-EOM-CCSD) method, we accurately compute the singlet-triplet gaps, which correspond directly to the exchange coupling JJ. We show that the position of the dehydrogenated (or hydrogen-passivated) site in triangulene dimers strongly modulates the singlet-triplet splitting, allowing JJ to be tuned over a wide range - from a few meV to several tens of meV. This strategy provides a simple yet powerful route for designing tailored spin models with alternating or spatially patterned spin-exchange couplings.

Keywords

Cite

@article{arxiv.2605.24078,
  title  = {Controlling spin-$\frac 12$ antiferromagnetic interaction strength in nanographene dimers},
  author = {Robiatul Adawia and Pawel Tecmer and Pawel Potasz},
  journal= {arXiv preprint arXiv:2605.24078},
  year   = {2026}
}

Comments

8 pages, 7 figures