Controlling spin-$\frac 12$ antiferromagnetic interaction strength in nanographene dimers
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arXiv
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| Format: | Preprint |
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2026
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| _version_ | 1866916040805449728 |
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| author | Adawia, Robiatul Tecmer, Pawel Potasz, Pawel |
| author_facet | Adawia, Robiatul Tecmer, Pawel Potasz, Pawel |
| contents | We demonstrate that the effective spin-exchange coupling $J$ 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 $J$. We show that the position of the dehydrogenated (or hydrogen-passivated) site in triangulene dimers strongly modulates the singlet-triplet splitting, allowing $J$ 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_24078 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Controlling spin-$\frac 12$ antiferromagnetic interaction strength in nanographene dimers Adawia, Robiatul Tecmer, Pawel Potasz, Pawel Mesoscale and Nanoscale Physics Other Condensed Matter We demonstrate that the effective spin-exchange coupling $J$ 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 $J$. We show that the position of the dehydrogenated (or hydrogen-passivated) site in triangulene dimers strongly modulates the singlet-triplet splitting, allowing $J$ 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. |
| title | Controlling spin-$\frac 12$ antiferromagnetic interaction strength in nanographene dimers |
| topic | Mesoscale and Nanoscale Physics Other Condensed Matter |
| url | https://arxiv.org/abs/2605.24078 |