Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

ACS Nano

Tunable Topological Phases in an Organic One-Dimensional Mott Chain: Exchange-Alternating S=12 and Haldane S=1

Khalid N. Anindya, Hong Guo

Published Mar 4, 2026• 1 citation
Publisher

Abstract

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 even-Haldane phase of a dimerized S = 1 2 Heisenberg chain and a Haldane phase of an S = 1 chain realized when Hund coupling locks two S = 1 2 spins per monomer into S = 1. Density-functional theory places the active manifold deep in the Mott regime ( U / t > 100), justifying a spin-only Heisenberg description; a compact ( t, U ) → 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.

DOI
10.1021/acsnano.5c22186

Related papers

Tunable Topological Phases in an Organic One-Dimensional Mott Chain: Odd-Haldane (S = 1/2) and Haldane (S = 1)

Khalid N. Anindya, Hong Guo

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.

arXiv:2512.16173•Dec 18, 2025•0 citations

Realizing the symmetry-protected Haldane phase in Fermi–Hubbard ladders

Pimonpan Sompet, Sarah Hirthe, Dominik Bourgund +10 more

Abstract Topology in quantum many-body systems has profoundly changed our understanding of quantum phases of matter. The model that has played an instrumental role in elucidating these effects is the antiferromagnetic spin-1 Haldane chain 1,2 . Its ground state is a disordered state, with symmetry-protected fourfold-degenerate edge states due to fractional spin excitations. In the bulk, it is characterized by vanishing two-point spin correlations, gapped excitations and a characteristic non-local order parameter 3,4 . More recently it has been understood that the Haldane chain forms a specific example of a more general classification scheme of symmetry-protected topological phases of matter, which is based on ideas connected to quantum information and entanglement 5–7 . Here, we realize a finite-temperature version of such a topological Haldane phase with Fermi–Hubbard ladders in an ultracold-atom quantum simulator. We directly reveal both edge and bulk properties of the system through the use of single-site and particle-resolved measurements, as well as non-local correlation functions. Continuously changing the Hubbard interaction strength of the system enables us to investigate the robustness of the phase to charge (density) fluctuations far from the regime of the Heisenberg model, using a novel correlator.

arXiv:2103.10421•Nature•Jun 1, 2022•138 citations

Critical-entanglement spectrum of one-dimensional symmetry-protected topological phases

Wen-Jia Rao, Xin Wan, Guang-Ming Zhang

Under an appropriate symmetric extensive bipartition in a one-dimensional symmetry-protected topological (SPT) phase, a bulk critical-entanglement spectrum can be obtained, resembling the excitation spectrum of the critical point separating the SPT phase from the trivial (vacuum) state. Such a critical point is beyond the standard Landau-Ginzburg-Wilson paradigm for symmetry-breaking phase transitions. For the $S=1$ SPT (Haldane) phase with the Affleck-Kennedy-Lieb-Tasaki exact wave function, the resulting critical-entanglement spectrum has a residual entropy per lattice site ${s}_{r}=0.67602$, showing a delocalized version of the edge excitations in the SPT phase. From the wave function corresponding to the lowest entanglement energy level, the central charge of the critical point can be extracted $c\ensuremath{\approx}1.01\ifmmode\pm\else\textpm\fi{}0.01$. The critical theory can be identified as the same effective field theory as the spin-1/2 antiferromagnetic Heisenberg chain or the spin-1/2 Haldane-Shastry model with inverse-square long-range interaction.

arXiv:1406.7113•Physical Review B•Aug 28, 2014•25 citations

Two topological phases in exchange alternating spin-1 nanographene chains

J. C. G. Henriques, Y. del Castillo, Ricardo Segundo +2 more

Magnetic nanographenes are emerging as versatile building blocks for artificial spin lattices, enabling the exploration of flagship one-dimensional quantum-magnetism models with unprecedented control. The spin-1 Heisenberg model, including bilinear and biquadratic exchange, was first realized using [3]-triangulenes, revealing the Haldane phase. More recently, Clar’s goblets enabled the spin-1/2 Heisenberg model with exchange alternation, uncovering additional topological phases. Here we show that spin-1 nanographenes can be used to explore bond-alternating chains both in the Haldane phase and beyond it, in a dimerized phase with emergent edge spin-1. We use density matrix renormalization group (DMRG) to analyze how biquadratic exchange, which is known to be large in spin-1 nanographenes, determines the phase transition boundary. Combining multiconfigurational and first-principles calculations, we identify two realistic candidates to realize these two different phases: the recently synthesized extended Clar’s goblet and a passivated [4]-triangulene. We demonstrate how to distinguish these phases experimentally using inelastic electron tunneling spectroscopy, paving the way for their observation.

arXiv:2510.23555•SciPost Physics•Jul 7, 2026•2 citations

Tunable topological phases in nanographene-based spin-1/2 alternating-exchange Heisenberg chains

Chenxiao Zhao, Gonçalo Catarina, Jinjiang Zhang +8 more

Unlocking the potential of topological order within many-body spin systems has long been a central pursuit in the realm of quantum materials. Despite extensive efforts, the quest for a versatile platform enabling site-selective spin manipulation, essential for tuning and probing diverse topological phases, has persisted. Here, we utilize on-surface synthesis to construct spin-1/2 alternating-exchange Heisenberg (AH) chains[1] with antiferromagnetic couplings $J_1$ and $J_2$ by covalently linking Clar's goblets -- nanographenes each hosting two antiferromagnetically-coupled unpaired electrons[2]. Utilizing scanning tunneling microscopy, we exert atomic-scale control over the spin chain lengths, parities and exchange-coupling terminations, and probe their magnetic response by means of inelastic tunneling spectroscopy. Our investigation confirms the gapped nature of bulk excitations in the chains, known as triplons[3]. Besides, the triplon dispersion relation is successfully extracted from the spatial variation of tunneling spectral amplitudes. Furthermore, depending on the parity and termination of chains, we observe varying numbers of in-gap $S=1/2$ edge spins, enabling the determination of the degeneracy of distinct topological ground states in the thermodynamic limit-either 1, 2, or 4. By monitoring interactions between these edge spins, we identify the exponential decay of spin correlations. Our experimental findings, corroborated by theoretical calculations, present a phase-controlled many-body platform, opening promising avenues toward the development of spin-based quantum devices.

arXiv:2402.13590•Feb 21, 2024•7 citations

Symmetry-Protected Topological Phase in a One-Dimensional Correlated Bosonic Model with a Synthetic Spin-Orbit Coupling

Jize Zhao, Shijie Hu, Ping Zhang

By performing large-scale density-matrix renormalization group simulations, we investigate a one-dimensional correlated bosonic lattice model with a synthetic spin-orbit coupling realized in recent experiments. In the insulating regime, this model exhibits a symmetry-protected topological phase. This symmetry-protected topological phase is stabilized by time-reversal symmetry and it is identified as a Haldane phase. We confirm our conclusions further by analyzing the entanglement spectrum. In addition, we find four conventional phases: a Mott insulating phase with no long range order, a ferromagnetic superfluid phase, a ferromagnetic insulating phase, and a density-wave phase.

arXiv:1510.04554•Physical Review Letters•Nov 3, 2015•13 citations
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 even-Haldane phase of a dimerized S = 1 2 Heisenberg chain and a Haldane phase of an S = 1 chain realized when Hund coupling locks two S = 1 2 spins per monomer into S = 1. Density-functional theory places the active manifold deep in the Mott regime ( U / t > 100), justifying a spin-only Heisenberg description; a compact ( t, U ) → 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.
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=12S=\tfrac{1}{2}S=21​ Heisenberg chain and a Haldane phase of an S=1S=1S=1 chain realized when Hund coupling locks two S=12S=\tfrac{1}{2}S=21​ spins per monomer into S=1S=1S=1. Density-functional theory places the active manifold deep in the Mott regime (U/t ⁣≈ ⁣126U/t\!\approx\!126U/t≈126), justifying a spin-only Heisenberg description; a compact (t,U) ⁣→ ⁣J(t,U)\!\to\!J(t,U)→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)S^{+-}(q,ω)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.
Abstract Topology in quantum many-body systems has profoundly changed our understanding of quantum phases of matter. The model that has played an instrumental role in elucidating these effects is the antiferromagnetic spin-1 Haldane chain 1,2 . Its ground state is a disordered state, with symmetry-protected fourfold-degenerate edge states due to fractional spin excitations. In the bulk, it is characterized by vanishing two-point spin correlations, gapped excitations and a characteristic non-local order parameter 3,4 . More recently it has been understood that the Haldane chain forms a specific example of a more general classification scheme of symmetry-protected topological phases of matter, which is based on ideas connected to quantum information and entanglement 5–7 . Here, we realize a finite-temperature version of such a topological Haldane phase with Fermi–Hubbard ladders in an ultracold-atom quantum simulator. We directly reveal both edge and bulk properties of the system through the use of single-site and particle-resolved measurements, as well as non-local correlation functions. Continuously changing the Hubbard interaction strength of the system enables us to investigate the robustness of the phase to charge (density) fluctuations far from the regime of the Heisenberg model, using a novel correlator.
Under an appropriate symmetric extensive bipartition in a one-dimensional symmetry-protected topological (SPT) phase, a bulk critical-entanglement spectrum can be obtained, resembling the excitation spectrum of the critical point separating the SPT phase from the trivial (vacuum) state. Such a critical point is beyond the standard Landau-Ginzburg-Wilson paradigm for symmetry-breaking phase transitions. For the S=1S=1S=1 SPT (Haldane) phase with the Affleck-Kennedy-Lieb-Tasaki exact wave function, the resulting critical-entanglement spectrum has a residual entropy per lattice site sr=0.67602{s}_{r}=0.67602sr​=0.67602, showing a delocalized version of the edge excitations in the SPT phase. From the wave function corresponding to the lowest entanglement energy level, the central charge of the critical point can be extracted $c\ensuremath{\approx}1.01\ifmmode\pm\else\textpm\fi{}0.01$. The critical theory can be identified as the same effective field theory as the spin-1/2 antiferromagnetic Heisenberg chain or the spin-1/2 Haldane-Shastry model with inverse-square long-range interaction.
Magnetic nanographenes are emerging as versatile building blocks for artificial spin lattices, enabling the exploration of flagship one-dimensional quantum-magnetism models with unprecedented control. The spin-1 Heisenberg model, including bilinear and biquadratic exchange, was first realized using [3]-triangulenes, revealing the Haldane phase. More recently, Clar’s goblets enabled the spin-1/2 Heisenberg model with exchange alternation, uncovering additional topological phases. Here we show that spin-1 nanographenes can be used to explore bond-alternating chains both in the Haldane phase and beyond it, in a dimerized phase with emergent edge spin-1. We use density matrix renormalization group (DMRG) to analyze how biquadratic exchange, which is known to be large in spin-1 nanographenes, determines the phase transition boundary. Combining multiconfigurational and first-principles calculations, we identify two realistic candidates to realize these two different phases: the recently synthesized extended Clar’s goblet and a passivated [4]-triangulene. We demonstrate how to distinguish these phases experimentally using inelastic electron tunneling spectroscopy, paving the way for their observation.
Unlocking the potential of topological order within many-body spin systems has long been a central pursuit in the realm of quantum materials. Despite extensive efforts, the quest for a versatile platform enabling site-selective spin manipulation, essential for tuning and probing diverse topological phases, has persisted. Here, we utilize on-surface synthesis to construct spin-1/2 alternating-exchange Heisenberg (AH) chains[1] with antiferromagnetic couplings J1J_1J1​ and J2J_2J2​ by covalently linking Clar's goblets -- nanographenes each hosting two antiferromagnetically-coupled unpaired electrons[2]. Utilizing scanning tunneling microscopy, we exert atomic-scale control over the spin chain lengths, parities and exchange-coupling terminations, and probe their magnetic response by means of inelastic tunneling spectroscopy. Our investigation confirms the gapped nature of bulk excitations in the chains, known as triplons[3]. Besides, the triplon dispersion relation is successfully extracted from the spatial variation of tunneling spectral amplitudes. Furthermore, depending on the parity and termination of chains, we observe varying numbers of in-gap S=1/2S=1/2S=1/2 edge spins, enabling the determination of the degeneracy of distinct topological ground states in the thermodynamic limit-either 1, 2, or 4. By monitoring interactions between these edge spins, we identify the exponential decay of spin correlations. Our experimental findings, corroborated by theoretical calculations, present a phase-controlled many-body platform, opening promising avenues toward the development of spin-based quantum devices.
By performing large-scale density-matrix renormalization group simulations, we investigate a one-dimensional correlated bosonic lattice model with a synthetic spin-orbit coupling realized in recent experiments. In the insulating regime, this model exhibits a symmetry-protected topological phase. This symmetry-protected topological phase is stabilized by time-reversal symmetry and it is identified as a Haldane phase. We confirm our conclusions further by analyzing the entanglement spectrum. In addition, we find four conventional phases: a Mott insulating phase with no long range order, a ferromagnetic superfluid phase, a ferromagnetic insulating phase, and a density-wave phase.