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Physics Condensed Matter

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Tuesday 16 June

Soft Condensed Matter · Cross-listed from math-ph

Elastic Surface Instability as a Topological Phase Transition

The macroscopic instability of soft materials undergoing extreme deformations is traditionally viewed as a pure structural or mechanical failure. Driven by the quest to uncover universal principles across disparate physical systems, we bridge two vibrant yet seemingly disconnected research frontiers: macroscopic finite-strain solid mechanics and quantum-like topological physics. Here, we demonstrate that the classical elastic surface instability of a deformed hyperelastic manifold is not merely a mechanical bifurcation, but fundamentally a topological phase transition. By incorporating Lie group metric evolution into a generalized Stroh formalism, we map the highly nonlinear geometric frustration onto an algebraic surface impedance matrix $\mathbf{H}$. For a semi-infinite hyperelastic half-space under finite compression, we analytically map the system to a one-dimensional Dirac Hamiltonian, where the macroscopic mechanical stretch acts as a tunable knob for the Dirac mass. We reveal that the onset of surface wrinkles marks a topological transition from a trivial to a non-trivial phase characterized by a quantized step in the winding number, naturally giving rise to a robust, macroscopically localized zero-energy edge state. This fundamental linkage unifies macroscopic symmetry breaking with the topological paradigm, opening a new theoretical pathway for programmable smart soft matter.
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Strongly Correlated Electrons

Tunable Chaos in the Finite Mean SYK Model

The complex Sachdev-Ye-Kitaev (SYK) model, featuring fermions with all-to-all interactions, serves as a dual paradigm for understanding non-Fermi liquid behavior and the holographic nature of charged black holes. Two defining characteristics of the standard SYK model are its maximal chaos (Lyapunov exponent $\lambda_{\mathrm{L}}=2\pi T$ at temperature $T$), and its finite zero-temperature residual entropy. While previous studies have largely focused on couplings drawn from a zero-mean Gaussian distribution, we investigate a generalized model with a finite mean-to-standard-deviation ratio, $g\equiv J_{0}/\delta J$ of the coupling distribution in order to get deeper insight into the evolution of chaos. We find that increasing $g$ yields the following effects: (i) The system remains a fast scrambler with $\lambda_{\mathrm{L}}=A~T$, but with a suppressed coefficient $A<2\pi$. (ii) In the limit $g\to \infty$, out-of-time-ordered correlators (OTOCs) no longer exhibit exponential growth with $\lambda_{\mathrm{L}}\simeq 0$. (iii) The spectral correlations indicative of late-time chaos maintain Wigner-Dyson level spacing statistics for all values of $g$. (iv) The system preserves a finite residual entropy, albeit with reduced magnitude, for all $g$ values. We conclude that in this generalized SYK model, there is a chaotic to non-chaotic crossover. Moreover different measures of chaos decouple, demonstrating that the presence of finite residual entropy does not strictly imply maximal chaos.
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All authors Arkaprava Mukherjee, Sumilan Banerjee, Sandip P. Trivedi, Nandini Trivedi

Mesoscale and Nanoscale Physics

Magnon-dislon hybridization in magnetic insulators

Spin dynamics in ordered magnets with topological lattice defects is investigated. Using fracton–elasticity duality, we develop an effective field theory of magnons coupled to quantized lattice dislocations (dislons) in magnetic insulators. Within this framework, an elastic gauge field mediates a nonlocal interaction between dislocations and magnetization gradients. The resulting magnetoelastic coupling gives rise to coherent magnon-dislon hybridization whose properties are dictated by dislocation topology. Screw dislocations exhibit helicity-selective hybridization and symmetry-protected dark dislon sectors, while edge dislocations generate anisotropic hybrid excitations with finite spin-precession ellipticity through the glide constraint. Our results establish dislocations as dynamical topological defects with directly observable polarization fingerprints in magnon spectra, and reveal magnon-dislon hybridization as a new route to control spin dynamics.
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Other Condensed Matter

Dynamical axion quasiparticles: an open quantum system

We study the non-equilibrium dynamics of emergent dynamical axion quasiparticles (DAQ) coupled to a photon bath in equilibrium via a Chern-Simons term as a quantum open system. A quantum master equation (QME) is derived up to second order in this coupling implementing only a partial Markov approximation, allowing time dependent rates in the Lindblad (QME). These are determined by the equilibrium correlation functions of the Chern-Simons density, and their time dependence allows us to explore transient dynamics in coherences and population: the formation of the quasiparticle on short time scales and its decay, and the build-up of population with an effective time dependent rate. Early time evolution features quantum anti Zeno dynamics with enhanced quasiparticle decay and population growth. These phenomena describe transient violations of Fermi's Golden rule and of detailed balance, and are distinct non-Markovian effects directly related to the spectral density of the Chern-Simons correlators. We obtain the equation of motion of coherent (DAQ) condensates both with the (QME) and with quantum many body linear response establishing a direct bridge between both methods. As a corollary we obtain the expectation value of the Chern-Simons density induced by a (DAQ) condensate in linear response, the topological susceptibility is shown to be proportional to the (DAQ) many body self-energy. We provide a Feynman diagram-based interpretation of approximations invoked in the (QME) and corrections from system-bath correlations in higher order.
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Superconductivity

Magnetic field induced transition from nodeless to nodal superconductivity in $\beta$-PdBi$_{2}$

Recent tunneling measurements on $\beta$-PdBi$_2$ reported a magnetic field induced phase transition from a fully gapped to a nodal superconducting state. We develop a microscopic theory of superconductivity in this multi-band material, taking into account spin-orbit coupling and Zeeman splitting. We show that there are two attractive pairing channels in this system: an s-wave and a p-wave. At zero magnetic field, s-wave superconductivity wins. At a finite field, this channel becomes less favorable because Fermi surfaces split, and the gap symmetry changes to p-wave. We show that at a higher field, the excitation spectrum of a p-wave multi-band superconductor becomes gapless, with nodal points located in between the split Fermi surfaces. We argue that this behavior accounts for the experimentally observed field-induced nodal superconductivity in $\beta$-PdBi$_2$.
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Materials Science

Hydration-controlled twist forms a moiré glass in charge-frustrated layered silicates

Twisting layered materials produces moiré superlattices, but prescribed twist angles are usually obtained by demanding assembly procedures. Here we show that montmorillonite, an abundant swelling clay, forms tunable moiré superlattices naturally. Focal-series high-resolution transmission electron microscopy, geometric phase analysis, and molecular dynamics simulation reveal that its apparent rotational disorder is biased toward low-angle misorientations inherited from discrete hydration states. Multilayer stacks preferentially adopt twists near 1-2{\deg}, 4{\deg}, and 10{\deg}, producing long-wavelength moirés without long-range rotational order. We define this kinetically trapped state as a moiré glass, distinct from featureless turbostratic stacking. Simulations indicate that lattice-charge disorder stabilizes the angular preferences, whereas charge ordering promotes random stacking. Hydration screens interlayer interactions and lubricates twist, while dehydration arrests the resulting configurations in discrete steps. These results establish dynamic hydration as a macroscopic handle for programming twist in layered matter.
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All authors Juhyeok Lee, Piotr Zarzycki, Colin Ophus, Jim Ciston, Benjamin Gilbert, Jillian F. Banfield, Mary C. Scott, Michael L. Whittaker

Mesoscale and Nanoscale Physics

Persistent current and orbital magnetization along a valley-contrasting junction in bilayer graphene in a magnetic field

In a magnetic field bilayer graphene hosts an octet of pseudo-zero-mode electron levels nearly degenerate in orbitals $n=(0,1)$, valleys and spins. They split in valleys by electrostatic gating. In gated bilayer graphene, in which the interlayer bias is set up to flip sign across a line, one has a line junction that traps a portion of pseudo-zero-mode electrons inside the insulating bulk band gap, giving rise to electron states localized along the junction, known as kink states. A close look is made into the spectra and electromagnetic response of such kink states. There are two species of valley current associated with them, a drift current driven by the bias gradient and a circulating current coming from cyclotron motion. It turns out that they both flow in essentially the same direction, with the circulating current exhibiting a magnetic character distinct from those of other higher levels. In equilibrium they spatially circulate within the kink states, creating a quasi-one-dimensional channel of orbital magnetization. The electric control of the orbital magnetization and valley currents via a network of gated junctions will find useful applications in valley electronics.
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Materials Science

Magnetotransport Measurements on Isolated Polycrystalline Grains of Type-II Silicon Clathrate

The first low-temperature electronic transport characterization of individual polycrystalline grains of type-II silicon clathrate (Na$_x$Si$_{136}$, $x \ll 1$), isolated using microfabrication techniques, is reported. Structural characterization via Raman spectroscopy confirms that the isolated grains are largely devoid of amorphous silicon (a-Si). Temperature-dependent resistivity reveals multiple conduction regimes, including thermally activated freeze-out behavior and a transition to low-activation-energy transport at cryogenic temperatures, consistent with hopping conduction mechanisms. Hall measurements from 290 K to 3.5 K yield carrier concentration and mobility trends that correlate with the extracted activation energies, verifying $n$-type conduction. Additionally, gate-dependent conductivity measurements demonstrate electrostatic tunability at room temperature. Collectively, these results establish the magnetotransport parameters of single, isolated grains of type-II silicon clathrate and demonstrate the potential of this material for future quantum and optoelectronic devices.
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All authors Sam Saiter, Joseph P. Briggs, Yinan Liu, Audrey Faricy, Gavin Sher, Carolyn A. Koh, Reuben T. Collins, Meenakshi Singh

Mesoscale and Nanoscale Physics

Negative diffusivity of excitons in electron-hole plasmas

We develop a minimal hydrodynamic framework to describe exciton transport in the presence of an electron hole plasma in 2D semiconductors. Treating excitons, electrons, and holes as coupled fluids, we show that exciton diffusion is strongly renormalized by momentum exchange with the plasma. In the collisional regime, mutual diffusion leads to a nontrivial redistribution of transport coefficients but preserves the positivity of the exciton diffusivity. In contrast, when plasma inertia and collective charge oscillations are accounted for, the exciton diffusive mode hybridizes with acoustic plasma modes, giving rise to a dynamical instability manifested as an effective negative diffusion coefficient. We demonstrate that this instability originates from the nonequilibrium coupling between slow excitons and fast plasma degrees of freedom, rather than from nonlinear diffusion or thermodynamic effects. Our results provide a unified physical mechanism for negative exciton diffusivity reported in recent experiments and establish collective plasma dynamics as a key control parameter of exciton transport in 2D materials.
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Materials Science

akaitools: A Python package for parsing and analyzing AkaiKKR electronic structure calculations

The Korringa-Kohn-Rostoker (KKR) Green's function method is a first-principles electronic structure approach well suited to substitutionally disordered alloys through the Coherent Potential Approximation (CPA). AkaiKKR is a widely used implementation, known for efficient treatment of metallic systems and their magnetic properties. Its output, however, is unstructured plain text with no programmatic interface, leaving data extraction entirely to the user and making systematic or high-throughput studies impractical. akaitools is a Python package that parses AkaiKKR output files into structured, type-annotated Python objects. The package covers three output types: self-consistent field (SCF) results, which capture convergence history and per-atom electronic and magnetic properties; spin-resolved, orbital projected density of states for each CPA component; and Bloch spectral functions on a user-defined k-point path. Results come back as immutable dataclasses backed by NumPy arrays. Energy quantities are available in both Rydbergs and electronvolts, and results can be exported to Pandas DataFrames. A built-in plotting module produces Matplotlib figures for DOS curves and SCF convergence. A command-line interface provides file summaries and JSON export without any Python scripting. The package also includes a programmatic input file generator, so full calculation pipelines from input preparation to output analysis can be run in Python.
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Strongly Correlated Electrons · Cross-listed from quant-ph

Universal entanglement probes of topological order and locally-achiral manifolds

We consider the problem of identifying a topological order based on bulk entanglement of the ground-state wavefunction. Previous work showed that some universal information can be extracted from multi-entropy measures, a class of multipartite entanglement measures obtained by applying permutation operators exchanging the degrees of freedom between different replicas of the wavefunction. It remains an open question to what extent such entanglement measures can be used to extract any universal information from the ground state. Here we show that the topological partition function $Z(M)$ of a manifold $M$ can be extracted provided that $M$ satisfies a topological condition which we term “local achirality". We show that locally-achiral manifolds can be used to extract universal properties of 2+1d topological phases that go beyond the $S$ and $T$ matrices. As a first step towards classifying locally-achiral manifolds, we show that, in four dimensions, such manifolds have vanishing Pontryagin number. We relate this property to the existence of beyond-cohomology time-reversal symmetry protected topological order (T-SPT) in four dimensions. Finally, we present an entanglement measure that detects this nontrivial T-SPT.
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Statistical Mechanics · Cross-listed from quant-ph

Equilibration of generalized subsystems: a quantum-channel approach

Quantum systems governed by unitary and reversible microscopic dynamics may nevertheless exhibit equilibration, in the sense that some effective description becomes time-independent. Standard equilibration results usually consider two separate situations: system-environment structures, in which the composite system evolves unitarily while the system of interest equilibrates, and restricted measurements, such as coarse-grained POVMs and observables, in which the measurement statistics equilibrate. Here, we bring these descriptions into a common state-level framework using the concept of generalized subsystems, where the accessible effective state appears as the output of a quantum channel acting on the microscopic state. We derive bounds showing that generalized subsystems equilibrate when their dimension is small compared with the effective dimension of the discarded microscopic information. We further show that this condition is met for typical initial states in large subspaces and that the resulting equilibrium description is largely insensitive to microscopic initial details. The framework recovers the usual equilibration bounds for ordinary subsystems and finite families of POVMs. As an example, we also introduce a finite-resolution energy channel that maps unresolved microscopic energy levels into effective energy levels, thereby making residual effective coherences explicit and showing how spectral multiplicities constrain those coherences while strengthening equilibration. Our results provide a unified state-level formulation of quantum equilibration under general forms of limited accessible information.
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Statistical Mechanics · Cross-listed from hep-th

Probing weak chaos in $\mathcal N=4$ super Yang-Mills and long-range spin chains

We study signatures of quantum chaos in finite-loop truncations of the planar dilatation operator in the $\mathfrak{su}(2)$ sector of $\mathcal N=4$ super Yang-Mills and its $\beta$-deformation. These truncations define holographically motivated long-range deformations of the nearest-neighbour XXX spin chain. At one-loop the model is integrable, while the all-loop planar theory is expected to again be integrable. Finite-loop truncations therefore provide a natural setting for investigating how chaotic behaviour emerges between these two integrable limits. We analyse this question using spectral statistics, eigenvector diagnostics and spread complexity. We find that the two- and four-loop truncations develop GOE-like level statistics at sufficiently large coupling but with features characteristic of weak integrability breaking. The integrability breaking at four-loops is weaker than at two-loops and the critical coupling at which chaos occurs is larger, at least for long spin chains. The three-loop truncation does not show the same onset of chaos in the range studied. Eigenvector diagnostics show that the corresponding eigenstates remain less random than GOE vectors, indicating weak ergodicity and multifractality. Finally, we can identify signatures of the eigenvalue and eigenvector chaos in the Krylov-space data. Namely, we demonstrate a correlation of the level spacing statistics with the peak of spread complexity and disorder on the Krylov chain. The delocalisation of the initial state in the Hamiltonian eigenbasis is shown to strongly affect the saturation of complexity. Our results suggest that finite-loop dilatation operators are not generic long-range spin chain Hamiltonians, but already display patterns consistent with the restoration of integrability in the all-loop planar theory.
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All authors Pawel Caputa, Brian Creed, Rathindra Nath Das, Saskia Demulder, Tristan McLoughlin

Statistical Mechanics · Cross-listed from quant-ph

Steady-state spectral kissing and dissipative phase transitions

Spectral kissing, recently realized in a Kerr parametric oscillator (KPO), refers to the merging of pairs of energy levels and arises as a manifestation of an excited-state quantum phase transition (ESQPT). Here, we show that this phenomenon has a dissipative counterpart encoded in the spectrum of the steady-state density matrix. Using a dissipative KPO as a representative example, we demonstrate that, in the weak-dissipation regime, the eigenvalues of the steady-state density matrix organize into quasi-degenerate pairs that mirror the spectral kissing of the corresponding closed system. As the dissipation strength increases, this pairing gradually disappears. By analyzing the classical limit of the system, we derive analytical expressions for the critical lines governing both the onset of steady-state spectral kissing and its disappearance at a dissipative phase transition.
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All authors Devesh Karthik, Jorge Chávez-Carlos, Edson M. Signor, Victor S. Batista, Francisco Pérez-Bernal, Lea F. Santos

Mesoscale and Nanoscale Physics

Quantum Geometry and Topology of Bulk Plasmons in Weyl Metals

We address the quantum geometric structure of plasmons in Fermi surfaces enclosing a topological charge. We demonstrate that Weyl fermion plasmons have monopole structure, are topological and have a finite vorticity $\zeta=2\mathsf{C}_{\text{w}}$, where $\mathsf{C}_{\text{w}}$ is the Chern number of the Fermi surface enclosing the Weyl point. We show that these plasmons selectively couple to light linearly polarized along the plasmon effective dipole moment $\mathbf{d}$, which has quantum geometric origin and points along the direction of the plasmon center of mass momentum $\hat{\mathbf{Q}}$. We suggest that Weyl metal topological plasmons have distinctive optical properties compared to conventional plasmons.
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Statistical Mechanics · Cross-listed from quant-ph

Chaos from quantum bath fluctuations

The effect of a large environment on a finite-size quantum mechanical system is two-fold: It brings dissipation, but also fluctuations of thermal and quantum origin. While dissipation tends to stabilize the dynamics, we question if and how environmental quantum fluctuations can generate chaos in an otherwise classically non-chaotic system. We work out a paradigmatic model of quantum optics: the dissipative Dicke model, where a large spin interacts with a dissipative harmonic mode. We dial in the classical/quantum correspondence by working in the semiclassical regime at large but finite spin. We demonstrate that, starting from a classically regular phase space in the superradiant regime, quantum noise can generate a strange attractor with fractal dimension and a positive Lyapunov exponent. We unveil the deep connection with shear-induced chaos that was recently developed in the mathematical community.
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All authors Ilan Baud, Tamoghna Ray, Mahaveer Prasad, Manas Kulkarni, Camille Aron

Disordered Systems and Neural Networks · Cross-listed from quant-ph

Ground state preparation of random all-to-all Hamiltonians using ADAPT-VQE

The ground state of random Hamiltonians with all-to-all interactions such as the quantum Sherrington-Kirkpatrick (SK) model and the Sachdev-Ye-Kitaev (SYK) model follow volume-law entanglement and are expected to be hard to model using tensor networks. In recent years, some progress has been made to push the limit of classical methods using neural quantum states. However, it remains an open question whether there exist quantum algorithms that could offer a quantum advantage over the state-of-the-art classical methods in simulating random Hamiltonians. In this work, we show that one such algorithm, TETRIS-ADAPT-VQE, can construct accurate ground states for dense and sparse SYK models containing up to $N=20$ Majorana fermions achieving fidelities $\geq 99.3\%$ and for the quantum SK model with up to $L=18$ sites achieving fidelities $\geq 99.9998\%$. We find that while the preparation of ground states is efficient (in terms of operator pool size and circuit depth) for the SK model, it is not efficient for either dense or moderately sparse SYK models.
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All authors Sabhyata Gupta, Bharath Sambasivam, Sophia E. Economou, Edwin Barnes, Alexander F. Kemper, Raghav G. Jha

Materials Science · Cross-listed from physics.ins-det

Diffuse scattering of neutrons in a wave resonator

In fundamental experiments with neutrons, the neutron flux and the neutron storage time in the measuring setup are of primary importance. These quantities can be increased by using a storage device for neutrons generated by a pulsed source. In a storage device with material walls, both parameters are determined by the probabilities of neutron absorption and diffuse scattering upon reflection from the storage walls, as well as by the neutron decay probability. This work considers a neutron measurement method and presents the results of an experimental determination of the probability of diffuse neutron scattering in a wave resonator.
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Superconductivity

Superconductivity from interband coupling to ferroelectric quantum critical fluctuations in two dimensions

Soft critical fluctuations associated with ferroelectric quantum phase transitions are typically transverse owing to their polar nature. This implies that the conventional density–density electron–phonon coupling to these modes is strongly suppressed, which is puzzling as a variety of materials exhibit enhanced superconductivity in the vicinity of ferroelectricity. An alternative coupling mechanism is an interband “Stark”-like coupling that connects bands of opposite parity. In the limit where one of the bands is far in energy, these processes generate an effective quadratic (two-phonon) coupling. In contrast, when both bands lie close to the Fermi energy, the resulting interaction develops singular behavior due to the additional gapless electronic states, motivating a detailed study into the dynamics of this effective two-phonon coupling. To this end, we construct the quantum critical Eliashberg theory for a two-dimensional system across a wide range of interband gap magnitudes, near the quantum critical point. We find that the critical temperature $T_c$ is strongly enhanced relative to conventional BCS expectations. In the large-gap limit, the pairing kernel acquires higher-order logarithmic contributions, leading to a parametrically enhanced $T_c$ governed by cubic and quadratic logarithmic terms. In the small-gap regime, the pairing scale exhibits a modified BCS-like form with an enhanced dependence on the inverse square root of the dimensionless coupling constant. The enhancement is due to the dynamics of the two-phonon pairing whose infrared cutoff is set by $T_c$, resulting in a significant enhancement of superconductivity compared to three-dimensional systems, where it is set by the Fermi energy. Our results elucidate the unique dynamical properties of effective two-phonon interactions, and may be relevant to layered compounds like Td-MoTe$_2$ and doped SrTiO$_3$ membranes.
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Mesoscale and Nanoscale Physics

Coherent effects in quantum transport models and their classical counterparts

We analyze the transport properties of quasiparticles locally excited at an initial time moment in several exactly solvable quantum models. It is revealed that, in the investigated quantum systems, the time-dependent probability distribution function (PDF) exhibits behavior similar to that of classical continuous-time random walk (CTRW) models, such as Lévy walks or diffusing diffusivity.
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All authors N.S. Maslova, V.N. Mantsevich, I.M. Sokolov, P.I. Arseyev

Materials Science

Anisotropic Short-Range Order Modulates Ferroelectric Switching in Wurtzite ScAlN Alloys

Ferroelectric switching in wurtzite alloys is typically understood in terms of composition, strain, defects, and interfaces, while local chemical order is often neglected or treated as a secondary perturbation. Here we show that short-range order (SRO) is a previously overlooked microscopic variable that substantially influences the intrinsic switching barrier. Using first-principles canonical sampling, we find that wurtzite ScAlN develops a robust, highly anisotropic SRO that challenges the conventional random-alloy picture. This ordering suppresses in-plane Sc–N–Sc motifs while enhancing columnar mixed-cation chains along the polar $c$ axis, reflecting the symmetry-distinct polar and basal directions of the wurtzite lattice and reorganizing its polar connectivity. Relative to random-alloy structures, SRO systematically increases the intrinsic switching barrier across a broad composition range. Motif-resolved analysis further identifies the population of columnar Sc–N–Al–N–Sc motifs as the primary structural descriptor underlying switching-barrier variations among configurations with different local order. These results establish anisotropic SRO as an independent degree of freedom for tuning ferroelectric switching. More broadly, they reveal how local chemical order can couple to the symmetry-distinct directions of a polar semiconductor lattice to modify functional behavior. Our findings lay a foundation for SRO engineering as a route to tailoring switching barriers without changing alloy composition.
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All authors Shunda Chen, Xianchao Dong, Xiaochen Jin, Tianshu Li

Disordered Systems and Neural Networks

Learning Dynamics of Chain-of-Thought State Tracking in a Solvable Transformer Model

Chain-of-thought generation can turn a multi-step computation into a sequence of locally checkable state updates, but the training dynamics by which transformers acquire such updates remain poorly understood. We study this question in a solvable setting: a simplified one-block transformer trained by supervised next-token prediction on state sequences generated by composing permutations. The architecture separates fixed-lag action retrieval, learned by RoPE attention, from a specialized MLP logic module that applies the retrieved permutation to the current state. Using a statistical-physics mean-field description, we derive dynamics for three order parameters measuring attention retrieval, teacher-matrix alignment, and off-target logic overlap. These equations quantitatively match simulations for the order parameters and, combined with a logit-distribution approximation, qualitatively predict the sharp transition in final rollout accuracy. The analysis reveals staged learning: the logic module first learns a mixed heuristic; attention then locks onto the relevant action, enabling efficient MLP alignment. Together, these results provide a controlled mechanistic account of how attention-based retrieval and MLP-based logic co-develop during chain-of-thought state tracking.
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All authors Niklas Forner, Marcel Kühn, Matthias Thamm, Bernd Rosenow

Soft Condensed Matter

Dynamical properties of ab initio water from machine-learning potentials

We assess the dynamical properties of liquid water predicted by several density functionals using machine-learning interatomic potentials. MACE models were trained for SCAN, RPBE-D3/zd, revPBE-D3/zd, revPBE0-D3/BJ, PBE0-D3/zd, and PBE0-D3/BJ using previously reported ab initio datasets. We compare translational, rotational, and viscous dynamics through time-correlation functions, which resolve relaxation processes across different timescales, and through the corresponding long-time kinetic coefficients. The diffusion coefficient, second-rank orientational relaxation time, and shear viscosity reveal systematic differences among functionals. Part of these differences can be rationalized as shifts along the phase diagram, as comparisons relative to each functionals melting temperature reduce the spread in the dynamical observables. Among the functionals considered, RPBE-D3/zd provides the best overall agreement with experiment. We therefore perform a broader validation of RPBE-D3/zd using a Behler–Parrinello neural-network potential over a wide range of temperatures, densities, and pressures. The model reproduces the magnitude and anomalous pressure dependence of the diffusion coefficient, gives generally good viscosities, and captures the temperature dependence of the rotational relaxation time.
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All authors P. Montero de Hijes, L. Neubeck, G. Kresse, C. Dellago

Strongly Correlated Electrons

High-temperature ferromagnetism and antiferromagnetism in monolayer \ce{CrTe2}: Roles of strong spin-lattice coupling and charge doping

The interplay of structural, electronic, and magnetic degrees of freedom governs phase stability and critical temperatures in two-dimensional magnets. Controlling this coupling is essential for advancing fundamental understanding and spintronic applications. Combining first-principles calculations with Heisenberg Monte Carlo simulations, we reveal a rich magnetic phase diagram governed by the interplay of lattice strain and carrier density. These results provide a unified framework that reconciles diverse experimental reports on epitaxial layers and predicts a novel double-stripe antiferromagnetic phase, further stabilized by electron doping. Moreover, structural and electronic perturbations enable room-temperature ferromagnetism and antiferromagnetism. This magnetic evolution arises from competing, highly tunable direct and ligand-mediated exchange interactions in the presence of Ruderman-Kittel-Kasuya-Yosida coupling. By disentangling their individual contributions, we elucidate the underlying microscopic mechanisms, which transcends the conventional conduction electron picture. Finally, we quantify the colossal magnetoelastic response and identify zone-folded Raman modes that serve as unique experimental fingerprints for phase identification. Together, these results establish \ce{CrTe2} as a versatile platform for two-dimensional spintronics, where magnetic order and transition temperatures are tailorable via structural and electrical engineering.
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Materials Science

Double quantum spin Hall phase in bilayer ZrTe$_5$

Quantum spin Hall insulators (QSH) are topological materials that host helical edge states protected against backscattering, making them ideal candidates for dissipationless spin transport. Within the conventional $\mathbb{Z}_2$ classification, only phases with an odd number of edge state pairs ($\mathbb{Z}_2 = 1$) are topologically nontrivial, whereas even-channel systems ($\mathbb{Z}_2 = 0$) lie beyond this framework but can host robust edge transport characterized by a spin Chern number. Experimentally accessible realizations of such phases remain rare, particularly in systems with sizeable band gaps. Here, we show that bilayer ZrTe$_5$ realizes a double quantum spin Hall phase in its energetically most stable structure. Using first principles calculations, we demonstrate that uniaxial strain drives a transition from this phase to a conventional single pair QSH phase with $\mathbb{Z}_2 = 1$. The double QSH phase hosts two pairs of helical edge states, resulting in enhanced edge conductance and a quantized spin Hall response that remains robust over an energy window of up to $\sim$100 meV. These results establish bilayer ZrTe$_5$ as a tunable platform connecting conventional and double QSH phases within a single material. More broadly, they demonstrate that untwisted van der Waals bilayers can host topological phases beyond the conventional $\mathbb{Z}_2$ classification.
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All authors Chao Chen Ye, Gábor Kalla, Jianting Ye, Jagoda Sławińska

Statistical Mechanics

Making complex CFTs real: The two-dimensional Potts model for $Q>4$ and complex $Q$

The two-dimensional $Q$-state Potts model with real couplings has a first-order transition for $Q>4$. Starting from a triangular-lattice Potts model with two- and three-spin interactions, we study an equivalent loop model in which $Q$ is a continuous parameter. By a combination of analytical and numerical arguments, we show that this loop model allows for the collision of a critical and a tricritical fixed point at $Q=4$. These then emerge as a pair of complex conformally invariant theories at $Q>4$, or even complex $Q$, for suitable complex coupling constants. We conjecture that all conformal data (such as the central charge, critical exponents, and three-point structure constants) can be obtained by analytic continuation of known exact results for the loop model with $Q \le 4$. This conjecture is checked, both for real $Q>4$ and for $Q \in \mathbb{C}$, by extensive transfer-matrix computations and comparison to previous studies for $Q=5$.
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Quantum Gases · Cross-listed from quant-ph

Quantum statistical enhancement of collective behaviour in a bosonic active Ising model

Collective behaviour such as flocking (the collective motion of a spontaneously formed group along a common direction) or aster formation (the binding of opposing flocks, inhibiting each others motion) are intriguing emergent phenomena in active systems with local alignment rules. Until recently, their occurrence was mainly studied for classical systems, a prime example being the active Ising model (AIM), which translates the main ingredients of flocking and aster formation (i.e., alignment and self-propulsion) to a lattice framework. Here we introduce and study a one-dimensional (1D) quantum lattice variant of the AIM, based on ideal bosons with a spin degree of freedom. We find that both the collective behaviours of the 1D classical model, flocking and aster formation, are markedly enhanced by the bosonic quantum statistics. This contrasts with a recent quantum generalization of the AIM based onto hard-core bosons [Khasseh et al., Phys. Rev. Lett. 135, 248302 (2025)], where flocking, but neither its quantum-statistical stabilization nor aster states were observed as a consequence of interactions. Moreover, we investigate the competition of this quantum statistical stabilization of collective phases with their suppression by the quantum fluctuations induced by a transverse external magnetic field.
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All authors Kian L. Assent, Emil Strauch, Sabine H. L. Klapp, André Eckardt, Alexander Schnell

Materials Science

Impact of dynamic electrostatic disorder on hole mobility in rubrene: a nonadiabatic molecular dynamics investigation

High-mobility organic molecular crystals such as rubrene are important materials for organic electronics, yet a quantitatively predictive description of their charge transport properties remains challenging. Direct mixed quantum-classical nonadiabatic molecular dynamics simulations provide a promising route by explicitly propagating the charge carrier wavefunction, without assuming a specific transport mechanism. However, previous large-scale simulations of apolar molecular crystals have commonly neglected dynamic electrostatic disorder, since evaluation of electrostatic interactions is computationally demanding and the approximation appears plausible for apolar systems. Here, we use the damped shifted-force (DSF) real-space electrostatic summation method, combined with an efficient addition-subtraction scheme, to include dynamic electrostatic disorder in fragment orbital-based surface hopping (FOB-SH) simulations of room-temperature hole transport in rubrene. We find that electrostatic interactions increase the reorganization energy for (hypothetical) nearest neighbour hopping by 29 and 39 meV along the a and b-directions, respectively, relative to a baseline value of 152 meV obtained without electrostatics. In FOB-SH simulations, electrostatic interactions lead to increased site energy disorder, reducing the spatial extent of the hole wavefunction, as measured by a decrease in the inverse participation ratio from 13 to 9, and lowering the predicted mobility along the high-mobility direction from $35$ to $21~\mathrm{cm^2 V^{-1}s^{-1}}$, in close agreement with experiment.
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Superconductivity

Cavity-enhanced superconducting response in an underdoped cuprate

Superconductors carry electrical current without resistance when paired electrons condense into a coherent macroscopic quantum state. In underdoped cuprates, evidence suggests that pairing-related correlations and superconducting fluctuations can survive above the temperature at which global coherence is lost, pointing to phase fluctuations as a key limitation on superconductivity in this regime. Motivated by recent demonstrations of cavity-modified collective states in quantum materials, we investigate whether superconducting coherence can be stabilized by engineering the electromagnetic environment of the superconductor. We study an underdoped YBa$_2$Cu$_3$O$_{7-\delta}$ thin film in a tunable terahertz cavity formed with a semi-transparent gold mirror. From temperature-dependent terahertz transmission measurements, we find that the cavity enhances the superconducting response below the critical temperature, with an increase of the inferred superfluid weight. The effect becomes more pronounced at smaller cavity lengths and is accompanied by an upward shift of the superconducting onset temperature. Calculations based on a cavity-coupled model for phase-fluctuating superconductors capture these trends and support an interpretation in terms of cavity-enhanced phase stiffness. These results showcase the potential of cavity engineering for designing emergent functionalities in correlated systems.
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All authors Angela Montanaro, Vadim Plastovets, Nitesh Khatiwada, Jacopo Fiore, Giacomo Jarc, Abdullah Alabbadi, Antonio Mastropasqua, Enrico Maria Rigoni, Shahla Y. Mathengattil, Simone Dal Zilio, Francesca Fassioli Olsen, Fabio Novelli, Stephan Winnerl, Michael A. Sentef, Dante M. Kennes, Andrew J. Millis, Francesco Piazza, Daniele Fausti

Materials Science

Tunable Electronic and Transport Properties of Biphenylene via Fluorination and Disorder

Biphenylene (BPN) network is a newly synthesized 2D carbon allotrope hosting anisotropic Dirac electronic states. Here, we investigate how fluorination and correlated chemical disorder modify the electronic structure and charge transport of fluorinated biphenylene (F/BPN) using density functional theory, Wannier-based tight-biding Hamiltonian, and quantum transport simulations. We show that fluorination reshapes the transport response of BPN, producing concentration-dependent anisotropic conduction regimes. For pristine and ordered fluorinated systems, we identified the emergence of negative differential resistance (NDR) and a bias-induced inversion of the preferred transport direction, from armchair to zigzag and vice versa. In contrast, disorder suppresses the NDR, driving the system toward an approximately Ohmic transport regime. At high fluorine coverage, we further observed a nonmonotonic dependence of the armchair current on adatom concentration, which we attribute to the formation of correlated quasi-linear fluor conformation that promote armchair-oriented C-$\pi$ transport channels while simultaneously suppressing transport along the zigzag direction. Our results demonstrate that correlated fluorination can be used as an active mechanism to engineer electronic transport.
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