Tunable Topological Phases in an Organic One-Dimensional Mott Chain: Odd-Haldane (S = 1/2) and Haldane (S = 1)
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arXiv
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866914206933057536 |
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| author | Anindya, Khalid N. Guo, Hong |
| author_facet | Anindya, Khalid N. Guo, Hong |
| contents | Establishing symmetry-protected topological (SPT) phases with interactions in chemically realistic systems remains an open challenge. We show that a single, synthetically plausible organic one-dimensional chain, tunable via chemical modification of its radical sites, hosts two such phases: an odd-Haldane phase of a dimerized $S=\tfrac{1}{2}$ Heisenberg chain and a Haldane phase of an $S=1$ chain realized when Hund coupling locks two $S=\tfrac{1}{2}$ spins per monomer into $S=1$. Density-functional theory places the active manifold deep in the Mott regime ($U/t\!\approx\!126$), justifying a spin-only Heisenberg description; a compact $(t,U)\!\to\!J$ mapping then fixes exchange couplings. Exact diagonalization and DMRG reveal a consistent SPT fingerprint across both phases, including a quantized many-body Zak phase, even-degenerate entanglement spectrum, protected edge spins, and characteristic triplon/Haldane features in $S^{+-}(q,ω)$. Our results identify a chemically programmable molecular platform for interacting SPT physics in one dimension and suggest concrete spectroscopic routes to organic Haldane spin chains for nanoscale quantum devices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_16173 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Tunable Topological Phases in an Organic One-Dimensional Mott Chain: Odd-Haldane (S = 1/2) and Haldane (S = 1) Anindya, Khalid N. Guo, Hong Strongly Correlated Electrons Materials Science Establishing symmetry-protected topological (SPT) phases with interactions in chemically realistic systems remains an open challenge. We show that a single, synthetically plausible organic one-dimensional chain, tunable via chemical modification of its radical sites, hosts two such phases: an odd-Haldane phase of a dimerized $S=\tfrac{1}{2}$ Heisenberg chain and a Haldane phase of an $S=1$ chain realized when Hund coupling locks two $S=\tfrac{1}{2}$ spins per monomer into $S=1$. Density-functional theory places the active manifold deep in the Mott regime ($U/t\!\approx\!126$), justifying a spin-only Heisenberg description; a compact $(t,U)\!\to\!J$ mapping then fixes exchange couplings. Exact diagonalization and DMRG reveal a consistent SPT fingerprint across both phases, including a quantized many-body Zak phase, even-degenerate entanglement spectrum, protected edge spins, and characteristic triplon/Haldane features in $S^{+-}(q,ω)$. Our results identify a chemically programmable molecular platform for interacting SPT physics in one dimension and suggest concrete spectroscopic routes to organic Haldane spin chains for nanoscale quantum devices. |
| title | Tunable Topological Phases in an Organic One-Dimensional Mott Chain: Odd-Haldane (S = 1/2) and Haldane (S = 1) |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2512.16173 |