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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2512.08680 |
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| _version_ | 1866909951871418368 |
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| author | Peake, Rebecca Truyens, Zoé Mol, Jan Nielsen, Christian B Beljonne, David Cornil, David Benton, Owen |
| author_facet | Peake, Rebecca Truyens, Zoé Mol, Jan Nielsen, Christian B Beljonne, David Cornil, David Benton, Owen |
| contents | The tunability of covalent organic frameworks (COFs) opens opportunities to engineer topological electronic phases, including topological insulators (TIs) and higher-order topological insulators (HOTIs)--materials that host in-gap states localized at their edges, hinges, or corners. Here we explore how chemically feasible perturbations can drive triazine-based COFs (CTFs) into topological regimes. Using a tight-binding model on the Honeycomb lattice inspired by the frontier electronic states of CTFs, we show that introducing an effective uniaxial strain--implemented as a modulation of electron hopping on a subset of bonds--can generate a series of distinct topological band structures. This effect can be realized in practice through chemical substitution of linkers along the strained bonds. First-principles calculations demonstrate that replacing biphenyl with pyrene linkers drives a CTF to the brink of a HOTI phase, suggesting a viable route toward topological band-structure engineering in COFs. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_08680 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Engineering Topological Bands in Strained Covalent Organic Frameworks Peake, Rebecca Truyens, Zoé Mol, Jan Nielsen, Christian B Beljonne, David Cornil, David Benton, Owen Materials Science The tunability of covalent organic frameworks (COFs) opens opportunities to engineer topological electronic phases, including topological insulators (TIs) and higher-order topological insulators (HOTIs)--materials that host in-gap states localized at their edges, hinges, or corners. Here we explore how chemically feasible perturbations can drive triazine-based COFs (CTFs) into topological regimes. Using a tight-binding model on the Honeycomb lattice inspired by the frontier electronic states of CTFs, we show that introducing an effective uniaxial strain--implemented as a modulation of electron hopping on a subset of bonds--can generate a series of distinct topological band structures. This effect can be realized in practice through chemical substitution of linkers along the strained bonds. First-principles calculations demonstrate that replacing biphenyl with pyrene linkers drives a CTF to the brink of a HOTI phase, suggesting a viable route toward topological band-structure engineering in COFs. |
| title | Engineering Topological Bands in Strained Covalent Organic Frameworks |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.08680 |