Conformational tuning of magnetic interactions in coupled nanographenes
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arXiv
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| Format: | Preprint |
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2024
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| author | Catarina, Gonçalo Turco, Elia Krane, Nils Bommert, Max Ortega-Guerrero, Andres Gröning, Oliver Ruffieux, Pascal Fasel, Roman Pignedoli, Carlo A. |
| author_facet | Catarina, Gonçalo Turco, Elia Krane, Nils Bommert, Max Ortega-Guerrero, Andres Gröning, Oliver Ruffieux, Pascal Fasel, Roman Pignedoli, Carlo A. |
| contents | Phenalenyl (C$_{13}$H$_9$) is an open-shell spin-$1/2$ nanographene. Using scanning tunneling microscopy (STM) inelastic electron tunneling spectroscopy (IETS), covalently-bonded phenalenyl dimers have been shown to feature conductance steps associated with singlet-triplet excitations of a spin-$1/2$ dimer with antiferromagnetic exchange. Here, we address the possibility of tuning the magnitude of the exchange interactions by varying the dihedral angle between the two molecules within a dimer. Theoretical methods, ranging from density functional theory calculations to many-body model Hamiltonians solved within different levels of approximation, are used to explain STM-IETS measurements of twisted phenalenyl dimers on a h-BN/Rh(111) surface. By means of first-principles calculations, we also propose strategies to induce sizable twist angles in surface-adsorbed phenalenyl dimers via functional groups, including a photoswitchable scheme. This work paves the way toward tuning magnetic couplings in carbon-based spin chains and two-dimensional lattices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_11506 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Conformational tuning of magnetic interactions in coupled nanographenes Catarina, Gonçalo Turco, Elia Krane, Nils Bommert, Max Ortega-Guerrero, Andres Gröning, Oliver Ruffieux, Pascal Fasel, Roman Pignedoli, Carlo A. Mesoscale and Nanoscale Physics Phenalenyl (C$_{13}$H$_9$) is an open-shell spin-$1/2$ nanographene. Using scanning tunneling microscopy (STM) inelastic electron tunneling spectroscopy (IETS), covalently-bonded phenalenyl dimers have been shown to feature conductance steps associated with singlet-triplet excitations of a spin-$1/2$ dimer with antiferromagnetic exchange. Here, we address the possibility of tuning the magnitude of the exchange interactions by varying the dihedral angle between the two molecules within a dimer. Theoretical methods, ranging from density functional theory calculations to many-body model Hamiltonians solved within different levels of approximation, are used to explain STM-IETS measurements of twisted phenalenyl dimers on a h-BN/Rh(111) surface. By means of first-principles calculations, we also propose strategies to induce sizable twist angles in surface-adsorbed phenalenyl dimers via functional groups, including a photoswitchable scheme. This work paves the way toward tuning magnetic couplings in carbon-based spin chains and two-dimensional lattices. |
| title | Conformational tuning of magnetic interactions in coupled nanographenes |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2407.11506 |