Soft Condensed Matter · Cross-listed from math-ph
Elastic Surface Instability as a Topological Phase Transition
Yu-Xin Xie
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
Arkaprava Mukherjee, Sumilan Banerjee, Sandip P. Trivedi et al. (+1 more)
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
Carlos Saji, Nicolas Vidal-Silva and Roberto E. Troncoso
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
Daniel Boyanovsky
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$_{2}$
Emmanouil K. Kokkinis, Joseph J. Betouras and Andrey V. Chubukov
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
Juhyeok Lee, Piotr Zarzycki, Colin Ophus et al. (+5 more)
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
K. Shizuya
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
Sam Saiter, Joseph P. Briggs, Yinan Liu et al. (+5 more)
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
H. Terças and V.N. Mantsevich
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
Doğuhan Sar{\i}türk and Raymundo Arróyave
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
Yarden Sheffer
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
Pedro S. Correia, Adalberto D. Varizi and Gabriel Dias Carvalho
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
Pawel Caputa, Brian Creed, Rathindra Nath Das et al. (+2 more)
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
Devesh Karthik, Jorge Chávez-Carlos, Edson M. Signor et al. (+3 more)
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
Hong-Yi Xie, Peter Abbamonte and Bruno Uchoa
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
Ilan Baud, Tamoghna Ray, Mahaveer Prasad et al. (+2 more)
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
Sabhyata Gupta, Bharath Sambasivam, Sophia E. Economou et al. (+3 more)
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
E.D. Kolupaev, V.D. Zhaketov and Yu.V. Nikitenko
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
Sudip Kumar Saha, Jonathan Ruhman and Avraham Klein
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
N.S. Maslova, V.N. Mantsevich, I.M. Sokolov et al. (+1 more)
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
Shunda Chen, Xianchao Dong, Xiaochen Jin et al. (+1 more)
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
Niklas Forner, Marcel Kühn, Matthias Thamm et al. (+1 more)
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
P. Montero de Hijes, L. Neubeck, G. Kresse et al. (+1 more)
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
Anupama S and Mukul Kabir
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
Chao Chen Ye, Gábor Kalla, Jianting Ye et al. (+1 more)
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 $Q$
Jesper Lykke Jacobsen and Kay Joerg Wiese
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
Kian L. Assent, Emil Strauch, Sabine H. L. Klapp et al. (+2 more)
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
Jan Elsner, Samuele Giannini and Jochen Blumberger
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
Angela Montanaro, Vadim Plastovets, Nitesh Khatiwada et al. (+15 more)
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
Lucas Soares Sousa, Felipe Crasto de Lima and Roberto Hiroki Miwa
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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