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Physics Condensed Matter

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Sunday 11 October

Strongly Correlated Electrons

Single-Particle Spectroscopy and Cross-Barrier Dynamics in Inhomogeneous Luttinger Liquids via Unified Field Bosonization Technique

The Unified Field Bosonization Technique (UFBT) is employed to investigate the single-particle properties of inhomogeneous Luttinger liquids containing localized clusters of impurities in the presence of forward-scattering interactions. Within this framework, fermionic two-point correlation functions are used to derive the leading-order singular contributions to the dynamical density of states (DDOS) and the cross-barrier tunneling conductance. The results reveal distinct power-law behaviours of the DDOS near the impurity cluster and in the far-field regime. The tunneling conductance exhibits a power-law temperature dependence, decreasing with decreasing temperature for repulsive interactions and increasing for attractive interactions, while remaining temperature-independent in the noninteracting limit. The impurity cluster modifies the amplitudes and spatial structure of these observables, whereas their characteristic power-law exponents are determined solely by the interaction parameters. The formulation accommodates arbitrary impurity strengths without requiring perturbative expansions in the impurity or interaction strengths. The characteristic scaling behaviour emerges directly from the fermionic correlation functions, without an explicit renormalization-group (RG) treatment of the impurity strength, while the weak-interaction limit recovers the leading perturbative correction to the tunneling response. These findings establish UFBT as a unified framework for describing local spectral properties and cross-barrier transport in inhomogeneous Luttinger liquids.
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Strongly Correlated Electrons

Realistic Simulation of Valence-band Photoemission Spectra by using First-principles Calculations on the Basis of FLAPW Method

In order to reproduce experimental photoemission spectroscopy (PES) data by using band structure calculations with linearized augmented-plane-wave method, we developed a new method to calculate the atomic-subshell photoelectron differential cross section (PE-DCS) of the valence band. PE-DCS was calculated to be the sum of the products of the partial density of states (PDOS) and the photoionization differential cross section (PI-DCS) of each atomic subshell. To construct an appropriate PDOS beyond the conventional muffin-tin sphere (MTS) PDOS, we proposed a “nearly-neutral atomic sphere", which can be defined as a natural extension of MTS. Although the calculational method for atomic-subshell PI-DCS was the standard Hartree-Fock-Slater method, we developed a new computer code in order to deal with the unoccupied electron shells in the ground state of isolated atoms up to $\sim$10 keV. Details of the PE-DCS calculations were examined by using two simple examples of Na metal and NaCl, and then, the method was applied to hard x-ray PES (HX-PES) data of CuAlO$_2$. The experimental spectra were satisfactorily reproduced, demonstrating the potential applications of our method to HX-PES spectra of many compounds.
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All authors Noriaki Hamada, Satoshi Nakamura, Kenta Takahashi, Mario Okawa, Tomohiko Saitoh

Materials Science · Cross-listed from physics.chem-ph

Tersoff-NN: Hybrid Machine-Learned Bond-Order Extension of the Tersoff Potential

Accurate, robust, and efficient interatomic potentials are highly desirable for large-scale molecular dynamics simulations. Although machine-learning interatomic potentials can reproduce first-principles potential-energy surfaces with high accuracy, they typically incur higher computational costs than conventional empirical potentials and may be less reliable outside their training domains. We developed Tersoff-NN, a hybrid machine-learning potential for Si, which retains the analytical radial interactions and cutoff structure of the Tersoff potential while representing its environment-dependent bond-order factor using compact neural networks (NNs). Benchmarks for 32,768-atom systems show that Tersoff-NN is 4-12 times faster than the Behler-Parrinello-type NN potentials tested in this study. Tersoff-NN improves the short-range structure of liquid Si relative to the conventional Tersoff potential, closely reproduces the ab initio radial and angular distributions, and reproduces the equilibrium structure of diamond Si and qualitative energetic trends among several crystalline phases. Furthermore, melt-quench simulations reveal a disordered solid with predominantly four-coordinated, tetrahedral-like local environments. Additionally, characteristic reconstruction motifs are retained on Si surfaces despite their exclusion from the training dataset. A direct comparison with an alternative atom-centered bond-order NN highlights the critical role of physical constraints in ensuring dynamic stability. Despite exhibiting comparable validation errors, the selected triplet-based architecture remains stable, while an alternative model exhibits unphysical bond-order growth and atomic collapse. These results confirm that learning only the bond-order term improves the description of diverse Si environments while retaining substantial computational efficiency and enhancing dynamical stability.
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All authors Yusuke Nishimura, Sho Kubota, Kotaro Takematsu, Kentaro Hirai, Takanobu Watanabe

Strongly Correlated Electrons

Dynamical chiral symmetry breaking in rotating QED$_3$: critical flavor number and the occupation-reweighting channel

We study dynamical chiral symmetry breaking in $(2{+}1)$-dimensional QED on a rigidly rotating disc, $\Omega R<1$, within the rainbow Schwinger–Dyson framework. At zero temperature the rotation response of the condensate vanishes identically, so $N_c^{\rm SD}(\Omega,T{=}0)=N_c^{\rm SD}(0)=2.60\pm0.01$ (using three operational definitions). At finite temperature, rotation suppresses the condensate through a dominant occupation-reweighting channel, $\hat{\kappa}_{\rm occ}=-1.55$, accounting for $\ge 99.995\%$ of the linearized total response at the reference parameters, with self-consistent feedback amplifying it by $26.5$. The screening channel is reported at fixed regularization, $\hat{\kappa}_{\rm scr}(\varepsilon = 0.01)=-0.97$; its $\varepsilon \to 0$ behavior is logarithmically divergent. The crossover flavor $N^{*}(\Omega)$ falls monotonically at fixed temperature (a corollary). The critical flavor number is unchanged by rotation at $T=0$ (theorem). Together these results set the finite-temperature reference for the model.
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Soft Condensed Matter

Unlocking the potential of polymer networks for high strength through topology

A covalent polymer network is orders of magnitude weaker than individual covalent bonds. This large gap reveals an unrealized potential. The weakness of a network comes not from individual covalent bonds, but from how they are connected. Here we unlock this potential by identifying a topological criterion, involving optimally sparse crosslinks, long chains, and dense entanglements. Optimizing each topological variable alone is insufficient for high strength, yet exceptional strength emerges when they are combined within a narrow regime. We describe the physics of this synergy, and use the criterion to strengthen networks widely used but known to be weak. For example, we prepare a polyacrylamide hydrogel of 90 wt% water, amplifying strength from a commonly reported value of ~0.1 MPa to ~6.5 MPa. The exceptional strength is achieved without sacrificing other properties, such as softness, toughness, and elasticity. The criterion establishes topology as a general design principle for strong polymer networks.
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All authors Zheqi Chen, Yu Zhou, Chenghai Li, Ho Cheung Shum, Zhigang Suo

Statistical Mechanics

Ergodicity breaking transition beyond qubits

The local Hilbert space dimension is a fundamental parameter in quantum many-body systems, but its role in controlling the ergodicity-breaking transition remains less explored. We systematically study this question by introducing toy models of qudits in zero dimensions that exhibit an ergodicity-breaking transition. Using the hybridization condition, we analytically obtain the dependence of the critical value of the interactions on the local Hilbert space dimension. Numerical studies of spectral correlation measures show agreement with the theoretical predictions, hence confirming the existence of the ergodicity-breaking transition in these models. We further introduce a distinct higher spin version of the model and numerically obtain the same critical behavior, demonstrating that the observed critical point is independent of the microscopic structure of interactions considered.
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Soft Condensed Matter

Generalized Constraint-Controlled Rheological Model: Two Constitutive Pathways under Sinusoidal Periodic Shear Deformation

We formulate the Generalized Constraint-Controlled Rheological Model (GCCRM) for entangled linear and long-arm-branched polymer melts under sinusoidal periodic shear deformation (SPSD), spanning the linear and strongly nonlinear regimes. Molecular architecture, conformation, chain stretch, flow-active constraints, convective constraint release, dynamic tube dilation, and activated arm retraction define a common upstream molecular state. This state feeds two time-domain constitutive pathways (a configurational stress and a dissipative internal-variable stress) which are recombined before Fourier analysis. For branched polymers, the architecture is described by an entire backbone of molecular weight $M_{bb}$ and $N_a$ long arms of molecular weight $M_a$, with a compliance-weighted representative-constitutive-cell partition. The linear limit is normalized so that the configurational moduli sum to the entanglement modulus, while dynamic tube dilation and stretch drive distinct contributions to dissipative activation. Under reduced closures, GCCRM generates a smooth nonlinear elastic response with an onset of nonlinearity, an approximately logarithmic growth regime, an architecture-dependent maximum, and distinct high-deformation asymptotes. Fourier harmonics, ELR, VLR, and Lissajous curves are treated as post-processing observables of the total stress. The framework establishes a consistent constitutive architecture whose quantitative validation requires one parameter set per material across SPSD and, prospectively, transient shear histories.
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Statistical Mechanics · Cross-listed from quant-ph

Breakdown of thermalization in quantum spin systems with long-range interactions

Quantum thermalization of closed systems – i.e. the relaxation of local properties to their thermodynamic value along the Hamiltonian evolution – is generically expected in non-integrable systems at finite energy density. In this work we show that quantum spin systems with at least one spin component coupled through long-range ferromagnetic interactions, and a second spin component coupled to a field, cannot in general thermalize to a paramagnetic state whenever they have a finite, negative energy per spin. The long-range interactions we consider decay as a power law of the distance, $\sim r^{-\alpha}$ with $\alpha < d$, where $d$ is the number of spatial dimensions of the system. The lack of thermalization is generic to an infinite family of Hamiltonians, and it is not associated to any form of integrability. It can instead be understood by the anomalous features of the thermodynamics of the system in the paramagnetic phase, which cannot be reflected in the properties of the eigenstates. This leads to a breakdown of eigenstate typicality and of the eigenstate thermalization hypothesis. Interestingly, the non-thermal states emerging at long times in the dynamics display long-range multipartite entanglement, elevating the breakdown of thermalization to a resource.
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Mesoscale and Nanoscale Physics

A Solvable Model in the Half-filled Landau Level

A solvable microscopic model of interacting electrons in a half-filled Landau level is presented. The Hamiltonian is a well-defined limit of the electron-electron interaction. The low energy sector consists of a set of independent, spatially interlaced, one-dimensional systems of non-interacting fermionic dipoles, each system with a Fermi sea ground state. The total number of dipoles in the set of Fermi seas forming the two-dimensional ground state equals the number of electrons in the system and the density of states at the Fermi level is that of a two-dimensional Fermi gas. The model is obtained by generalizing, or rather adopting, the existing exact solution on a thin, but not too thin, torus to the two-dimensional bulk case.
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Other Condensed Matter

Non-Hermitian Two-Kink Control of Corner States in Twisted Chern Bilayers

Corner states are bound by boundary-mass defects, but this geometric anchoring restricts their spatial and internal control. Focusing on twisted bilayers assembled from Chern insulators with opposite Chern numbers, we show that a mass-phase kink carried by a non-Hermitian interlayer mass and an independent imaginary-momentum kink separate the spectral, in-plane, and interlayer control of mass-defect corner states. The mass-phase kink creates the parent corner pole and fixes its energy and intrinsic decay, while directed interlayer tunneling encodes its layer polarization. The imaginary-momentum texture instead reshapes the closed-boundary envelope and redistributes stationary right-state weight between corners. A twisted Qi–Wu–Zhang bilayer verifies this division on arbitrary, including concave, boundaries. A $30^\circ$ twisted Haldane dodecagon realizes twelve finite-energy parent states whose in-gap spectral manifold persists while boundary patterns redistribute its normalized right-subspace weight toward six, three, two, or one target corners. The two kinks therefore cooperate or compete while keeping spectral ancestry, spatial weight, and layer character distinct, thereby establishing a unified framework for controlling mass-defect corner states across disparate boundary geometries and mass textures.
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Statistical Mechanics

Extended-range percolation on lattices with cubic and non-compact neighborhoods in three dimensions

Using MC simulations based on an efficient single-cluster growth algorithm, we investigate two types of three-dimensional extended-range percolation models, namely cubic and complex (non-compact) neighborhoods. We obtain high-precision percolation thresholds $p_c$ for approximately 100 distinct structures and further explore the relationship between these thresholds and the topology of the lattices, which includes the total coordination number $z$, the number of sites $z_i$ and these sites' distance to the central site $r_i$ of the given neighborhood in the $i$th coordination zone. Both bond and site percolation are analyzed for cubic neighborhoods on the SC lattice. For bond percolation, the asymptotic value of $zp_c$ tends to Bethe-lattice behavior ($zp_c\sim1$), and finite-$z$ correction is found to be consistent with $zp_{c}-1\sim a_{1}z^{-x}$, where $x=(d-1)/d$. For site percolation, the value of $zp_c$ varies non-monotonically, exhibiting an initial increase followed by a decrease with the coordination number $z$. Linear fitting leads to $zp_c\sim2.5987(1)$ for large $z$, predicting a value of continuum percolation threshold of aligned cubes $\eta_c=0.324838(12)$ using $zp_c=2^{d}\eta_c$. We then examine site percolation for non-compact neighborhoods extending to the fifth coordination zone on SC, FCC, and BCC lattices. Through a comparison of the three indices of $z$, $\xi=\sum_iz_ir_i^2/i$, and $\zeta=\sum_iz_ir_i$, we find that $\zeta$ is effective in removing the degeneracy. The results obtained show power-law dependence $p_c\propto(\zeta/K)^{-\gamma}$ with $\gamma_{\mathrm{SC}}^{\zeta}=0.703(12)$, $\gamma_{\mathrm{FCC}}^{\zeta}=0.728(10)$, and $\gamma_{\mathrm{BCC}}^{\zeta}=0.699(12)$ for SC, FCC, and BCC lattices, and $p_c\propto\zeta^{-\gamma}$ with $\gamma^{\zeta}=0.719(9)$ independent of the underlying lattice. The number $K$ indicates lattice connectivity.
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All authors Zhe Zhang, Yuxuan Fan, Yang Yang, Yusong Tu, Zhipeng Xun

Strongly Correlated Electrons

Matrix-product-state GPLHR for non-Hermitian many-body eigenproblems

Computing multiple eigenstates of non-Hermitian many-body operators plays an important role in investigating excitation spectra, spectral properties, and relaxation dynamics in interacting and open quantum systems. However, this task is challenging because the eigenvectors are generally nonorthogonal and the Hilbert space dimension grows exponentially with system size. Here, we formulate the generalized preconditioned locally harmonic residual (GPLHR) method in a matrix product state (MPS) framework to efficiently compute multiple targeted right eigenstates whose eigenvalues lie near a specified shift in the complex plane. Successive randomized compression (SRC) is employed to accelerate operator applications. We test the method on transcorrelated and complex Hubbard chains, an interacting non-Hermitian Su-Schrieffer-Heeger (SSH) chain, and a Liouvillian model. The results demonstrate that GPLHR combined with MPS provides an efficient and accurate approach for computing multiple eigenstates of non-Hermitian many-body operators.
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All authors Xingyao Wu, Zhangyu Yang, Yanbin Chen, Yu Wang, Feng Chen

Mesoscale and Nanoscale Physics

Microscopic foundation for orbitronics: orbital exchange interactions, orbital-dependent transport, and orbital switching

Recent experiments highlighted the essential role of the orbital degrees of freedom underlying current-induced magnetic dynamics. However, a microscopic picture of how orbital angular momenta are transferred between itinerant and localized electrons, and the way it feeds back into transport, remains elusive. Here we develop a theoretical framework for the orbital exchange interactions by generalizing the Anderson-Kondo model to incorporate the orbitals of conduction bands. Illustrating with the $p$-orbitals, we determine the way electrons acquire orbital polarization and its influence on the transport properties, uncovering the orbital counterparts of phenomena analogous to spin filtering and tunnel magnetoresistance. Reciprocally, we demonstrate that orbital-polarized currents can exert torques on localized magnetic moments without having to convert into spin currents, which enables electrical switching of magnetization even when spin polarization becomes inactive. These striking discoveries lay a microscopic foundation for orbitronics and reveal critical mechanisms for orbital manipulations of magnetic order.
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Strongly Correlated Electrons · Cross-listed from hep-th

Holographic theory of non-invertible gravitational anomalies

We review a many-body formulation of gravitational anomalies as obstructions to realizing the complete low-energy data by a local bosonic lattice quantum system of the same dimension. In this formulation, an anomalous theory can be realized at the boundary of a gapped bosonic lattice bulk, whose topological order gives a one-to-one classification of the anomaly. An invertible bulk reproduces conventional anomaly inflow; a bulk with non-trivial topological excitations yields a non-invertible generalization. To describe the holographic theory of anomalies, we explain the distinction between uniquely defined topological order and many versions of topological quantum field theory and discuss the boundary-to-bulk map. As an application of the holographic theory of anomalies, we describe morphisms between local quantum theories (such as quantum field theories). These morphisms are built from a bulk domain wall and an invertible boundary junction, which give rise to a sandwich picture. Chiral boson/fermion theory, Laughlin edges, and boundaries of $\mathbb{Z}_2$ higher gauge theory with bosonic or fermionic point-like excitations illustrate the different kinds of information about non-invertible anomalies contained in transport coefficients, superselection sectors, and condensation data. In particular, a fermionic theory can be viewed as a theory with a particular non-invertible gravitational anomaly. Those examples also reveal that {\it symmetry $\sim$ gravitational anomaly $\sim$ topological order in one higher dimension}.
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Materials Science

Programmable memristive circuits for reconfigurable collective pseudomagnetic ordering, transport, and learning

Programmable hardware typically uses fixed architectures, whereas complex physical systems obtain diverse behavior by connecting reusable local elements through different interaction rules. Memristive devices combine writable states with nonlinear dynamics, but translating these local properties into reconfigurable collective order and symmetry-governed transport remains challenging. Here we develop modular circuits configured through programmable connections between identical memristive units. Experiments establish binary conductance states as Ising-type pseudospins and show that signed feedback between units selects uniform or staggered pseudospin order. Circuit-model simulations then examine controllable domain-wall motion and pattern recovery. A symmetry encoder combines measured conductance patterns with sublattice labels and a selected symmetry rule to configure a fixed transport layer, implementing circuit analogs of ferromagnetic, antiferromagnetic, and altermagnetic transport symmetries. Although the antiferromagnetic and altermagnetic encodings share a compensated pattern, their distinct voltage spreading illustrates how programmed circuit symmetry affects transport. Device-calibrated simulations show that memristive dynamics generates history-dependent features for reservoir computing. By separating local memory from programmable interactions, symmetry encoding and task-specific readout, this architecture provides a modular route from device dynamics to collective order, symmetry-dependent transport, and learning.
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All authors Sichang Qiu, Yuxin Jiang, Yongchao Wu, Peng Han, Xinxin Gao, Zekun Huang, Ce Shang, Ronny Thomale, Tie Jun Cui, Shuo Liu

Disordered Systems and Neural Networks

Weyl's theorem and the theoretical origin of Boson peak in two-dimensional scalar spring network

The origin of the anomalous low-frequency vibrational density of states (VDOS) universally observed in amorphous solids has been debated for decades. In this work, we model amorphous solids as a zero-temperature scalar spring network, the simplest model that captures both the amorphous structure and the features of the anomalous VDOS. Using this scalar network, we mathematically demonstrate that disorder can lead to a shift of the VDOS toward low frequencies, thereby accumulating the anomalous part there. Disorder is defined through the topological connectivity of the network. The validity and universality of the theoretical framework are general and valuable for real-world scenarios because it rests only on Weyl's theorem for Hermitian matrices and is free of perturbation and phenomenological assumptions. This work strips away complex factors and reveals, at the level of mathematical principles, a profound and clean mechanism for the origin of the anomalous VDOS in amorphous solids.
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Materials Science

Three-dimensional reconstruction of weakly scattering objects from single-defocus 4D-STEM data

Three-dimensional (3D) atomic-structure analysis is of central importance in (scanning) transmission electron microscopy (STEM). STEM techniques to reconstruct 3D structure include tilt-series or defocus-series annular dark-field, best suited to heavier atomic species, and dynamical-scattering-model inversion applied to single-defocus four-dimensional (4D) STEM data, requiring computationally expensive post-experiment analysis. In this study, we propose a 3D-structure linear inversion (3D LINV) STEM algorithm, which enables a fast and direct reconstruction of 3D structures from a single-defocus 4D-STEM dataset. This method is based on solving linear equations relating the measured 4D-STEM data and the unknown 3D specimen potential under the thick weak phase object approximation. We show the capabilities of 3D LINV STEM through systematic 4D-STEM simulations across various observation parameters such as specimen thickness, partial coherence, and shot noise, and through an experimental demonstration of 3D structure reconstruction of a stacked freestanding membrane with atomic-scale lateral resolution and nanometre-scale depth resolution.
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All authors Kousuke Ooe, Yufan Shen, Yuichi Shimakawa, Daisuke Kan, Scott D. Findlay

Mesoscale and Nanoscale Physics

Valley-resolved high harmonics probe symmetry breaking beyond the Dirac cone

Low-energy electrons in graphene obey an emergent, rotationally invariant Dirac equation, while the honeycomb lattice enters only through higher-order, symmetry-breaking corrections, the leading one being trigonal warping. This provides a unique solid-state arena to address a cornerstone challenge in quantum gravity: how to detect ultraviolet symmetry-breaking granular corrections, suppressed by a fundamental scale, atop an emergent infrared relativistic continuum. We show that intense counter-rotating $\omega$-$2\omega$ fields and valley-resolved high-harmonic generation (HHG) provide such a probe. Within a family of models that interpolates continuously between the isotropic Dirac cone and nearest-neighbour graphene at fixed Fermi velocity, the valley contrast of the harmonic yield vanishes identically in the symmetric theory, grows linearly with the warping coupling, and its valley-even counterpart appears only at second order, as expected from effective-field-theory power counting. The stronger the laser, the farther it drives electrons from the Dirac points, so the laser intensity plays the role of the collision energy. For the fourth harmonic, the leading warping correction alone accounts for the valley contrast of real graphene up to fundamental intensities of about $10^{11}$ W/cm$^2$, below the damage threshold of monolayer graphene, whereas the fifth harmonic already reveals higher-order lattice corrections at intensities around $10^{10}$ W/cm$^2$. The two harmonics, which rotate in opposite directions, are emitted by opposite valleys. Valley-resolved harmonics are far more sensitive than the residual valley populations, making them a practical detector of lattice-scale physics hidden beneath an emergent Dirac theory.
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Materials Science · Cross-listed from cs.ET

Localized Joule heating and carbonization process optimization of 3D printed polymer structures for lab-on-CMOS applications

Use of carbon electrodes integrated with CMOS technology has great promise for lab-on-chip, biomedical, environmental, and industrial applications. One method of developing carbon electrodes is to 3D print polymer nanostructures on a CMOS chip, and use a thermal annealing process to pyrolyze them into carbon at high temperature, approximately 950 {\deg}C. Such high temperature is detrimental to the CMOS sensor circuits, causing severe degradation. We present a novel solution of localized Joule heating of these polymer nanostructures to achieve complete carbonization of the electrodes. Both analytical and COMSOL simulations guided the experiments to characterize the carbonization process conditions. Partial carbonization was achieved at 500-600 {\deg}C of global temperature, and complete carbonization was achieved by localized Joule heating. Pyrolized nanostructures monolithic samples on a silica wafer were fabricated using standard material processing, such as 2-Photon Polymerization. Pyrolysis was achieved by Rapid Thermal Processing (RTP). Observations using optical microscopy, scanning electron microscopy, and Raman spectroscopy demonstrated the feasibility of polymer carbonization within a CMOS compatible temperature window.
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All authors Mohammad Aminul Haque, Andalib Nizam, Nickolay Lavrik, Nicole Mcfarlane

Materials Science

Framework for an AI-Ready ARPES Community Database

Condensed matter stands to gain profoundly from widespread adoption of artificial intelligence (AI). However, its current means of data organization impedes this endeavor. As a premier measure of electronic structure underlying material properties, Angle-Resolved Photoemission Spectroscopy (ARPES) has accumulated over four decades of spectra, yet the community's publication-centered workflow preserves only a highly selected fraction of its experimental record. A shared data ecosystem could transform these fragmented measurements and their contexts into a persistent, collective scientific memory, creating immediate value for reproducibility and reuse while laying the foundation for AI-enabled discovery. In this Perspective, we report outcomes of a recent community workshop and propose a practical path toward such an ecosystem. Its benefits unfold along three timescales. In the near term, standardized, searchable, and citable datasets strengthen analysis pipelines independently of AI. In the intermediate future, community-validated tools operating across laboratories could enable broader reuse and increasingly closed-loop automated experiments. In the long term, a diverse corpus of measured electronic spectra could support foundation models for quantum matter. Looking forward, a diverse corpus of measured electronic spectra could support foundation models for quantum matter and new discoveries. We discuss lessons from existing scientific databases, the current state of AI in ARPES, as well as areas of community convergence on data organization, access, credit, governance, and a staged pilot program.
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All authors Zhi-Xun Shen, Jin Gene Wong, Karen Lei, Leon Garcia, Felix Baumberger, Sergey Borisenko, Aaron Bostwick, Ting Cao, Tanny Chavez, Yulin Chen, Monika Choudhary, Andrea Damascelli, Dan Dessau, Thomas P. Devereaux, Sandy A. Ekahana, Alexei Fedorov, Atsushi Fujimori, Yucheng Guo, M. Zahid Hasan, Makoto Hashimoto, Yu He, Philip Hofmann, Zahid Hussain, Harold Y. Hwang, Zhurun Ji, Chunjing Jia, Timur K. Kim, Phil D. C. King, Takeshi Kondo, Alessandra Lanzara, Chun Lin, Donghui Lu, Matteo Michiardi, Sung-Kwan Mo, Brian Moritz, Laurenz Rettig, Eli Rotenberg, Takafumi Sato, Kyle M. Shen, Jonathan A. Sobota, Inna Vishik, Shuolong Yang, Ming Yi, Timothy Zaklama

Saturday 10 October

Other Condensed Matter · Cross-listed from quant-ph

Monogamy of quantum steering in exciton–cavity optomechanical system

In this work, we study a theoretical scheme to investigate the monogamy of quantum steering in a hybrid exciton–cavity optomechanical (EOM) system. Within the Gaussian-state formalism, we quantify the steerability among the exciton, photon, and mechanical modes in both the steady-state and dynamical regimes. We establish and verify CKW-type monogamy inequalities for Gaussian steering and demonstrate that the distribution of bipartite steering among the three modes can be controlled through the system parameters. We further examine the influence of thermal noise and temporal evolution on the steering properties and the corresponding monogamy relations. Our results show that increasing the temperature generally suppresses the strength of Gaussian steering and modifies the degree of steering sharing imposed by the CKW-type monogamy relations. In contrast, in the dynamical regime, the steerability can increase with evolution time over suitable temporal windows, indicating that the transient dynamics can be exploited to enhance quantum correlations. These results highlight the potential of hybrid exciton–optomechanical platforms for controllable quantum correlations and provide a promising route toward the generation and manipulation of multipartite quantum resources.
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Strongly Correlated Electrons

Dispersion of low-energy optical excitations in NiPS$_3$ explained by singlet polaron theory

Optical and resonant inelastic X-ray scattering (RIXS) experiments in the van der Waals antiferromagnet NiPS$_3$ have revealed narrow excitonic resonances near 1.5 eV whose microscopic origin remains under debate. In this work we study the momentum dependence of these excitations using the singlet-polaron theory (SPT) previously developed for NiPS$_3$. Within its framework, we calculate the spectral function of the corresponding effective model and extract the dispersion of the resulting quasiparticles. The theory naturally predicts two singlet excitations whose dynamics arise from their propagation in the zig-zag antiferromagnetic background ($S=1$) coupled to two-magnon processes. We show that the dispersion of the lowest-energy quasiparticle agrees very well with the excitonic dispersion measured by RIXS, reproducing both its overall shape and bandwidth along high-symmetry directions of the Brillouin zone. Our results provide a consistent interpretation of the optical excitations in terms of dispersive singlet polarons, and suggest that similar mechanisms may govern excitonic dynamics in other layered van der Waals antiferromagnets.
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All authors I. J. Hamad, C. S. Helman, A. E. Feiguin, L. O. Manuel, A. A. Aligia

Materials Science

Transition-Metal Chalcogenide Nanowires: A First-Principles Study of Stability, Electronic Structure, and Mechanical Response

Subnanometer transition-metal chalcogenide nanowires provide a one-dimensional platform in which electronic functionality and mechanical response can be tuned through chemical composition. Here, density functional theory calculations are combined with machine-learning force-field (MLFF) molecular dynamics to investigate MoS, MoSe, MoTe, WS, WSe, and WTe nanowires. The optimized structures are dynamically stable within the harmonic approximation, and their electronic character evolves systematically across the chalcogen series: MoS, MoSe, WS, and WSe are metallic, whereas MoTe and WTe are semiconducting, with HSE06 band gaps of 0.52 and 0.20 eV, respectively. The effective axial stiffness decreases from sulfides to selenides and tellurides, consistent with the increase in metal–chalcogen bond length; using a circular effective cross section, the corresponding Young moduli range from 392 to 718 GPa. All six nanowires have negative formation energies relative to the selected elemental reference phases. MLFF trajectories extending to 2.5 ns at 300 K preserve the one-dimensional morphology and local atomic order, providing evidence of finite-temperature dynamical stability on the simulated time scale. The corresponding MLFF molecular-dynamics energy traces are shown in. We further examine the response of the nanowires to axial strain and curvature, including strain-induced band-gap modulation in the tellurides. These results establish composition and mechanical deformation as complementary routes for tuning the electronic and mechanical properties of ultrathin transition-metal chalcogenide nanowires and support their further investigation as components of flexible nanoelectronic systems.
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Superconductivity

Local Suppression of Superconductivity in Niobium Films by Focused Silicon Ion Implantation

Magnetic flux trapped in a superconducting circuit shifts the critical currents of nearby Josephson junctions and disturbs the operation of the circuit. The usual remedy is a moat etched through the ground plane to hold the flux away from the logic. We report direct write silicon ion implantation with a focused ion beam as a way to make moats without etching the film, by locally suppressing superconductivity in niobium (Nb). Single implanted lines were written across Nb electrodes in films of three thicknesses over two orders of magnitude in ion fluence, and the transition temperature, resistance, and critical current density of each line were measured. The transition temperature of the line falls with fluence while the surrounding Nb is unchanged, and the critical current density falls by about two orders of magnitude before the line becomes resistive at 4.2 K. The product of the critical current and the resistance of the lines follows a single power law in reduced temperature. This gives an estimate of the critical current of a line at any temperature from its transition temperature and resistance. A time dependent Ginzburg-Landau simulation indicates that an implanted region can capture and hold a vortex. From these results we suggest a starting ion energy and fluence for implanted moats in a 100 nm Nb ground plane at 4.2 K and estimate the equivalent broad beam fluence.
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All authors Rochelle Y. Qu, Shunsuke Nishimura, Max Proepper, Joseph J. Barrera, Alexander Brooks, Joshua Vande Berg, Achim Nadzeyka, Aravind R. Sreeja, Jay C. LeFebvre, Roger K. Lake, Shane A. Cybart

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

The Rényi area law conjecture is false below $\alpha=1$ in high dimensions

Area laws express the expectation that entanglement in gapped quantum ground states scales with a boundary rather than a volume. In one dimension this holds for every Rényi entropy, and the Rényi area-law conjecture asserts the same in higher dimensions for each fixed $0<\alpha<1$. Here we disprove this conjecture in every spatial dimension two and higher. We construct finite-range Hamiltonians with fixed local dimension, bounded interaction strength, unique ground states and a uniform spectral gap, whose ground states exhibit volume-law Rényi entanglement while obeying a von Neumann area law and remaining connected to product states through uniformly gapped local paths. The mechanism is error-space complexity: locally identifiable components of arbitrarily small weight can encode states with high entanglement complexity. We also establish the worst-case rank-error trade-off for approximate ground-state projectors, a key tool in one-dimensional area-law proofs. At fixed gap, the optimal Schmidt rank at projection error $\epsilon$ across a planar cut of cross-section $A$ scales as $\exp[\tilde{\Theta}((A\log\epsilon^{-1})^{2/3})]$ when $\log\epsilon^{-1}\gtrsim A$. Thus $\alpha=1$ is the sharp threshold for a universal Rényi area law within this adiabatically connected class.
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Strongly Correlated Electrons

Superlattice-Stabilized Fractional Chern Insulators in a "Berry Basin" Model

The discovery of integer and fractional Chern insulators in rhombohedral graphene, following their discovery in the isolated topological flat band in twisted MoTe$_2$, motivates a search for the conditions under which an electronic band can host a topological correlated state. In this Letter we introduce a “Berry basin" model which captures the essential features of rhombohedral graphene: a dispersive band with a flat bottom, momentum-space winding of a “layer" degree of freedom, and Coulomb interactions, while also including periodic potentials, enabling controlled studies of the interplay of quantum geometry, superlattice modulation, and electron-electron interactions in producing correlated topological states beyond the isolated topological band paradigm. While integer Chern insulators emerge at strong coupling without a superlattice potential, stabilizing the fractional state requires nonzero potential for all interaction strengths we access. We provide insight into the greater robustness of integer and fractional Chern insulators in rhombohedral graphene when electrons are polarized away from the moiré interface. Our results establish a new class of systems that host robust fractional Chern insulators and provide a controlled numerical platform to test competing theories of interacting topological phases.
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Materials Science

Nucleation at the GST–oxide interface and beam-driven ordering in amorphous Ge–Sb–Te: HAADF, EDS and electron pair distribution functions across a 4D-STEM dose series

Where crystal nuclei form in amorphous phase-change materials decides how they switch. We study six successive 4D-STEM scans, with simultaneous HAADF and EDS data, of a magnetron-sputtered Ge-Sb-Te (GST) film, restricted to the GST layer and its interface with the oxide beneath it. Nucleation sites do not differ in composition or number density: the nuclei lie on the same robust HAADF-EDS relation as the matrix, and at fixed HAADF the spread of the summed EDS signal equals its Poisson counting noise (ratio 1.03 +- 0.05). The nuclei are nevertheless crystalline and stand out in the 4D-STEM max-intensity virtual image (median z = 11.0) but not in HAADF (z = 1.3) or EDS (z = 0.3). We classify the film in four ways (HAADF intensity, I(q) phase mapping, PCA of the whole diffraction patterns and a self-supervised SimCLR encoder) and compare the electron pair distribution functions (PDFs) of all classes after calibrating reciprocal space on the Au cap. All bulk classes share one short-range structure (first shell 2.70-2.74 Å); towards the interface the first sharp diffraction peak (FSDP) moves to lower q, and every method isolates a thin interface-edge environment with a shorter or missing first shell. The I(q) classification isolates, in every scan, an interface environment that holds 62-100% of the nucleus pixels (1.2-2.5-fold above depth) and persists when the nucleus pixels are removed before classification. The interface, rather than a distinct composition or density of the nucleating volume, therefore marks where nuclei form. Over 4.7e3 e/Å^2 the HAADF signal falls by 17%, the first shell shortens by 0.03 Å and the FSDP narrows by 9%, apparently ordering the film as it damages it. All analyses used PySTEMLab, an interactive 4D-STEM analysis environment developed for this work.
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All authors Mridul Kumar, Kirill Sobolev, Alexander Upcher, Yevgeny Rakita

Soft Condensed Matter

Reparameterizing GFN1-xTB for Ionic Liquids

Ionic liquids are materials whose properties can be tailored for a wide range of applications, but their chemical diversity and complex electronic structure make systematic screening using quantum-mechanical methods computationally demanding. Semiempirical quantum methods offer an alternative, although their accuracy depends on their parameterization. We investigate the reparameterization of the DFTB method GFN1-xTB for predicting structural, energetic, and electronic properties of ionic liquids. For this purpose, we built a database containing over 14,000 conformations to construct training datasets and explored different parameterization strategies fitted to binding energies, forces, HOMO-LUMO gaps, and geometries. Analysis of the original GFN1-xTB model reveals systematic errors in these properties, with distinct behavior for saturated and aromatic cations. Thus, we investigate two models: CXMIM-xTB, a targeted model trained on imidazolium-based ionic liquids, and IL-xTB, a more general model designed to describe systems containing saturated and aromatic cations. CXMIM-xTB improves the description of binding energies, geometries, and frontier orbital energies while retaining computational efficiency. The model is subsequently applied to estimate electrochemical windows of ionic liquids, providing values consistent with DFT and experimental values. IL-xTB follows a hierarchical parameterization strategy including different cation and anion families and substantially reduces the systematic errors of GFN1-xTB across the chemical space considered, providing a route for developing xTB parameterizations with broader applicability to ionic liquids. Overall, both parameterization strategies outperform the original GFN1-xTB model, demonstrating that reparameterized methods provide an efficient approach for connecting configurational sampling with quantum-mechanical properties of ionic liquids.
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Materials Science

Interfacial Coupling Reshapes Nonlinear Polarization in a Spin-Defect van der Waals Heterostructure

Van der Waals heterostructures offer a direct route to couple an optically active layer to a two-dimensional spin sensor, yet their coherent nonlinear response at interfaces remains poorly resolved. Here, we use polarization-resolved second harmonic-generation imaging to resolve four distinct regions of a hexagonal boron nitride (hBN) -based heterostructure, native hBN, neutron-irradiated hBN containing negatively charged boron vacancies (VB-), PbI2 and their complete overlap. The detected intensity scales quadratically with incident power, consistent with a dominant second-order optical process. Polarization scans show that adding PbI2 transforms the distorted VB- SHG anisotropy into a predominantly fourfold response with a sixfold stronger SHG than native hBN alone. This non-additive nonlinear response occurs in the same layer architecture also shown to enhance defect photoluminescence, linking spin-defect sensitization to an interface-modified effective second-order susceptibility.
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Strongly Correlated Electrons

Spectral Mapping Theorem between SU(N) and SU(Ns/N) Heisenberg Models and Exact Diagonalization of SU(4) and SU(7) Long-Range Ordered Phases on the Triangular Lattice

We first show that, for the SU(N) Heisenberg model with isotropic two-site interactions on an arbitrary lattice of Ns sites, the full spectrum in its singlet sector (when N divides Ns) is the negative of the full spectrum in its singlet sector of the SU(Ns/N) Heisenberg model defined on the same lattice. This theorem, valid for models with the fundamental irreducible representation (irrep) at each lattice site, follows naturally from a transposition operation in the basis of Standard Young Tableaux (SYTs). Second, this basis – previously recognized as particularly convenient for exact diagonalization (ED) of SU(N) Heisenberg models – admits an efficient, memory-saving implementation, thereby enabling large-scale diagonalizations for unprecedented system sizes Ns and numbers of colors N>3. We apply these ideas to an ED study of the SU(4) and SU(7) Heisenberg models on the triangular lattice (TL), extending the calculations up to Ns=28 sites. In particular, starting from the SU(4) case, whose nearest-neighbor ground state remains debated, we confirm that next-nearest-neighbor couplings stabilize four-sublattice long-range order. We further find that increasing the number of colors from N=4 to N=7 provides another route toward a Néel-like ground state, even without such additional couplings. N = 4 to N = 7 provides another route toward a Néel-like ground state, even without such additional couplings.
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