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Physics Condensed Matter

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Friday 17 October

Mesoscale and Nanoscale Physics

Deterministic nanofabrication of quantum dot-circular Bragg grating resonators with high process yield using in-situ electron beam lithography

The controlled integration of quantum dots (QDs) as single-photon emitters into quantum light sources is essential for the implementation of large-scale quantum networks. In this study, we employ the deterministic in-situ electron-beam lithography (iEBL) nanotechnology platform to integrate individual QDs with high accuracy and process yield into circular Bragg grating (CBG) resonators. Notably, CBG devices comprising just 3 to 4 rings exhibit photon extraction efficiencies comparable to those of structures with more rings. This facilitates faster fabrication, reduces the device footprint, and enables compatibility with electrical contacting. To demonstrate the scalability of this process, we present results of 95 optically active QD-CBG devices fabricated across two lithography sessions. These devices exhibit bright, narrow-linewidth single-photon emission with excellent optical quality. To evaluate QD placement accuracy, we apply a powerful characterization technique that combines cathodoluminescence (CL) mapping and scanning electron microscopy. Statistical analysis of these devices reveals that our iEBL approach enables high alignment accuracy and a process yield of over >90% across various CBG geometries. Our findings highlight a reliable route toward the scalable fabrication of high-performance QD-based single-photon sources for use in photonic quantum technology applications.
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All authors Avijit Barua, Kartik Gaur, Leo J. Roche, Suk In Park, Priyabrata Mudi, Sven Rodt, Jin-Dong Song, Stephan Reitzenstein

Materials Science

Engineering phase-frustration induced flat bands in an aza-triangulene covalent Kagome lattice

Pi-conjugated covalent organic frameworks (COFs) provide a versatile platform for the realization of designer quantum nanomaterials. Strong electron-electron correlation within these artificial lattices can give rise to exotic phases of matter. Their experimental realization however requires precise control over orbital symmetry, charge localization, and band dispersion all arising from the effective hybridization between molecular linkers and nodes. Here, we present a modular strategy for constructing diatomic Kagome lattices from aza-[3]triangulene (A[3]T) nodes, in which a D3h symmetric ground state is stabilized through resonance contributions from a cumulenenic linker. First-principles density-functional theory and scanning tunnelling spectroscopy reveal that the hybridization of a sixfold degenerate set of edge-localized Wannier functions in the unit cell gives rise to orbital-phase frustration-induced non-trivial flat bands. These results establish a general design principle for engineering orbital interactions in organic lattices and open a pathway toward programmable COF-based quantum materials with correlated electronic ground states.
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All authors Yuyi Yan, Fujia Liu, Weichen Tang, Han Xuan Wong, Boyu Qie, Steven G. Louie, Felix R. Fischer

Strongly Correlated Electrons · Cross-listed from hep-th

One-loop Corrected Holographic Shear Viscosity to Entropy Density Ratio at Low Temperatures

Near-extremal black holes contain infrared-enhanced quantum fluctuations in their near-horizon near-AdS$_2$ throat, governed in part by Schwarzian modes. We study the effect of these fluctuations on the zero-frequency stress-tensor response of a near-extremal asymptotically AdS$_4$ Reissner–Nordström black brane whose transverse directions are regulated by a finite toroidal quotient. Working directly in four dimensions, we compute the leading correction in the weakly coupled Schwarzian regime $T_q\ll T\ll r_0/L^2$. At one loop, the shear perturbation couples to the $n=2$ would-be zero mode and produces a correction proportional to $T_q/T$. Together with the logarithmic correction to the entropy, this yields a finite-volume correction to $\eta/s$. Our calculation provides a direct four-dimensional benchmark, complementary to exact two-dimensional treatments, while keeping the asymptotic AdS$_4$ source explicit.
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Quantum Gases · Cross-listed from cs.LG

Near-Equilibrium Propagation training in nonlinear wave systems

Backpropagation learning algorithm, the workhorse of modern artificial intelligence, is notoriously difficult to implement in physical neural networks. Equilibrium Propagation (EP) is an alternative with comparable efficiency and strong potential for in-situ training. We extend EP learning to both discrete and continuous complex-valued wave systems. In contrast to previous EP implementations, our scheme is valid in the weakly dissipative regime, and readily applicable to a wide range of physical settings, even without well defined nodes, where trainable inter-node connections can be replaced by trainable local potential. We test the method in driven-dissipative exciton-polariton condensates governed by generalized Gross-Pitaevskii dynamics. Numerical studies on standard benchmarks, including a simple logical task and handwritten-digit recognition, demonstrate stable convergence, establishing a practical route to in-situ learning in physical systems in which system control is restricted to local parameters.
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Soft Condensed Matter

Shape matters: Body dynamics underlies efficient jumping

Many small animals, particularly insects, use power-amplification to generate rapid motions, such as jumping, that would otherwise be impossible given the standard power density of muscle. A common framework for understanding this power amplification is Latch-Mediated, Spring Actuated (LaMSA) jumping, in which a spring is slowly compressed, latched in its compressed state and the latch released to allow jumping. Motivated by the jumps of certain insect larvae, we consider an external latching mechanism via adhesion to a substrate that is quickly released for jumping. We show that the rate at which this adhesion is lost is crucial in determining the efficiency of jumping and, indeed, whether jumping occurs at all. As well as showing how release rate should be chosen to facilitate optimal jumping, our analysis underscores the importance of the interaction between latch-release dynamics and the elastic deformation of the jumper for power amplification, thereby providing new insight into the post-latch control of jumping.
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All authors Marc Suñé, Lucas Selva, Cristóbal Arratia, John S. Wettlaufer, Dominic Vella

Strongly Correlated Electrons

Quantum geometry of common semiconductors

The quantum geometric properties of typical diamond-type (C, Si, Ge) and zincblende-type (GaAs, InP, etc) semiconductors are investigated by means of the $sp^{3}s^{\ast}$ tight-binding model, which allows to calculate the quantum metric of the valence band states throughout the entire Brillouin zone. The global maximum of the metric is at the $\Gamma$ point, but other differential geometric properties like Ricci scalar, Ricci tensor, and Einstein tensor are found to vary significantly in the momentum space, indicating a highly distorted momentum space manifold. The momentum integration of the quantum metric further yields the gauge-invariant part of the spread of valence band Wannier function, whose value agrees well with that experimentally extracted from an optical sum rule of the dielectric function. Furthermore, the dependence of these geometric properties on the energy gap offers a way to quantify the quantum criticality of these common semiconductors.
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Materials Science

Multiscale Modeling of Abnormal Grain Growth: Role of Solute Segregation and Grain Boundary Character

Abnormal grain growth (AGG) influences the properties of polycrystalline materials; however, the underlying mechanisms, particularly the role of solute segregation at the grain boundary (GB), are difficult to quantify precisely. This study demonstrates a multiscale framework that integrates atomic-scale segregation energetics (using density functional theory) with mesoscale grain growth dynamics (using phase-field model) to investigate AGG, using $\alpha$-Fe as an example system. Multisite segregation energies are calculated for symmetric tilt grain boundaries (STGBs) along the $\langle 110 \rangle$ axis for nine different solutes (Co, Cr, Mn, Mo, Nb, Ni, Ti, W, and V), encompassing three different types of coincident site lattice (CSL) boundaries: $\sum 3 (11\bar{2})$, $\sum 9 (\bar{2}21)$, and $\sum 3 (\bar{1}11)$. The model takes into account the effect of solute drag on GB mobility, estimated using a bulk solute concentration of 0.1 at%. The results demonstrate that AGG originates due to GB anisotropy, the extent of which largely depends on the type of solute atom present. Such a complex dependence necessitates using a multiscale model to understand AGG comprehensively. In general, low-energy $\Sigma 3$ boundaries are found to have higher mobility and show preferential growth for most of the solutes, other than Co. The study reveals how the distribution of GB types significantly influences AGG. When 10-30% of the GBs are high-mobility type, crown-like morphologies are observed, leading to AGG. These findings underscore the critical role of GB chemistry and crystallography in governing AGG, and the model can be generalized to provide a predictive framework for controlling grain growth through strategic solute design in advanced alloys.
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Statistical Mechanics · Cross-listed from quant-ph

Spectral statistics and energy-gap scaling in $k-$local spin Hamiltonians

We investigate the spectral properties of all-to-all interacting spin Hamiltonians acting on exactly $k$ spins, whose coupling coefficients are drawn from a normal distribution with mean $\mu$ and variance $\sigma^2$. For $\mu = 0$, we demonstrate that the random matrix ensemble – Gaussian Orthogonal Ensemble (GOE), Gaussian Unitary Ensemble (GUE), or Gaussian Symplectic Ensemble (GSE) – is determined by the parity of system size $L$ and locality $k$, following standard time-reversal symmetry classification. For couplings with a nonzero mean, we map the Hamiltonians to deformed random matrix ensembles and analyze conditions for an energy gap between the ground state and the first excited state. For $\mu < 0$, we find two distinct regimes: for $k \gg \sqrt{L}$, the gap closes at critical disorder $\sigma_{c} \approx |\mu|$. Near this transition the energy gap $\Delta$ exhibits universal quadratic scaling $\Delta /L \sim (\sigma - \sigma_{c})^{2}$. When $k \ll \sqrt{L}$, $\sigma_{c}$ scales with $|\mu|$, but lacks a sharp transition. Our work introduces a semi-solvable model that captures universal features of random-matrix statistics, and spectral gap formation, providing a foundation for systematic extensions to more general many-body systems.
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Mesoscale and Nanoscale Physics

Measuring the magnetic anisotropy of the spin Hall effect and spin relaxation length in nickel and permalloy via electrical spin injection

The spin Hall effect in ferromagnets is of great interest in the field of spintronics, and while the effect has been quantified in many materials, the dependence of the spin Hall angle on the relative orientation of spin polarization and the magnetization is less well studied. Of equal importance for the purpose of spin-charge interconversion in ferromagnets is the spin relaxation length, which is predicted to be highly anisotropic with respect to magnetization. Using a modified lateral spin valve geometry with a copper channel and permalloy spin injector, we measure the dependence of the spin Hall angle and spin relaxation length on magnetization orientation in permalloy and nickel, using two distinct device geometries. This allows us to disentangle the contributions of the spin relaxation length and spin Hall angle to the measured spin-charge interconversion voltage output. Our results indicate a large anisotropy in both the spin relaxation length and spin Hall angle in both permalloy and nickel, in agreement with theoretical calculations. The quantities change in opposite directions, with the spin relaxation length rising as the magnetization is moved parallel to the spin polarization and the spin Hall angle falling, leading to a near total cancellation of the spin-charge interconversion output.
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All authors Eoin Dolan, Jone Mencos, Williams Savero Torres, Maxen Cosset-Chéneau, Jean-Philippe Attané, Laurent Vila, Luis E. Hueso, Fèlix Casanova

Superconductivity

Interband-Pairing-Boosted Supercurrent Diode Effect in Multiband Superconductors

We unveil a mechanism that enables a robust supercurrent diode effect in Josephson junctions based on multiband superconductors. We predict that interband pairing can significantly amplifies this effect, even under weak spin-orbit coupling while intraband pairing alone would render it negligible. To illustrate this, we examine monolayer FeSe/STO, a system where recent experiments suggest interband pairing in either a nodeless $d$-wave or $\eta$ pairing state. Using experimentally derived parameters, we predict that FeSe/STO can serve as a high-temperature platform for realizing a substantial supercurrent diode effect, with efficiencies reaching up to $30\%$ for $d$-wave pairing and $12\%$ for $\eta$ pairing. These results demonstrate that measuring the supercurrent diode effect can provides a powerful probe of the pairing symmetry in monolayer FeSe/STO, offering critical insights into its superconducting state.
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Soft Condensed Matter

Self-organization and cyclic positioning of active condensates

Cohesive active assemblies are often regulated by spatially heterogeneous nonequilibrium driving, such as gradients in motility, biochemical turnover, or mechanical activity. Such heterogeneous driving can influence where condensates or cell collectives accumulate, how stable they are, and how they exchange material with their surroundings. However, the minimal physical mechanisms by which activity gradients control the positioning and turnover of cohesive active matter remain unclear. Here, we address this question using a model of attractive active Brownian particles (ABPs) in a spatially varying activity field. Using Brownian dynamics simulations, we show that these particles undergo liquid-gas phase separation, and spatially varying activity fields induce striking emergent dynamics. Attractive active droplets migrate up activity gradients, and at sufficiently high activity, they can fragment or evaporate into a dilute phase. For finite clusters, evaporated ABPs can redistribute through the simulation box, reassemble into new clusters in lower-activity regions, and migrate again toward higher activity, giving rise to cyclic positioning through repeated nucleation, migration, evaporation, and reassembly.
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Strongly Correlated Electrons

Subdimensional Entanglement Entropy: from Geometric-Topological Response to Entanglement-Induced Mixed-State Holography

We introduce the subdimensional entanglement entropy (SEE), defined on subdimensional entanglement subsystems (SESs) embedded in the bulk, as an entanglement-based probe of how geometry and topology jointly shape universal properties of quantum matter. By varying the dimension, geometry, and topology of the SES, we show that the subleading term of SEE exhibits sharply distinct responses in a series of stabilizer states representing fixed points of different phases, including cluster states, $\mathbb{Z}_q$ topological orders, and fracton orders. Treating the reduced density matrix of an SES as a many-body mixed state supported on the SES manifold, we further establish a general correspondence between bulk stabilizers and mixed-state symmetries on SESs, separating them into strong and weak classes, and use it to identify strong-to-weak spontaneous symmetry breaking within SESs. Finally, for SESs with nontrivial SEE, we show that a set of weak symmetries acts as transparent patch operators of the corresponding strong symmetries. This motivates the notion of transparent composite symmetry, which remains robust under bipartition-factorized finite-depth quantum circuits that preserve SEE, and implies that a $D$-dimensional SES may holographically encode a $(D+1)$-dimensional topological order. These results establish SEE not only as a sharp probe of geometric-topological response, but also as a route from bulk pure-state entanglement to mixed-state symmetry and holography on subdimensional manifolds.
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Statistical Mechanics

The Wishart–Rosenzweig–Porter random matrix ensemble

In recent years the Rosenzweig–Porter (RP) ensemble, obtained by adding a diagonal matrix with independent and identically distributed elements to a Gaussian random matrix, has been widely used as a minimal model for the emergence of fractal eigenstates in complex many-body systems. A key open question concerns the robustness of its phase diagram when the assumption of independent and uncorrelated entries is relaxed – an assumption that simplifies its analysis, but is generally violated in realistic quantum systems. In this work, we take a first step in this direction by considering a deformed Wishart (rather than Gaussian) random matrix, which we dub the “Wishart–RP” ensemble. Using perturbation theory, as well as the cavity and replica methods and the Dyson Brownian motion approach, we characterize its phase diagram and localization properties. Remarkably, we show that the level compressibility, which quantifies spectral correlations in the fractal phase, coincides with that of the Gaussian RP model, thereby extending the universality conjectured in [SciPost Phys. 14, 110 (2023)] beyond the fully uncorrelated setting. We confirm our results with numerical tests.
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All authors Victor Delapalme, Leticia F. Cugliandolo, Grégory Schehr, Marco Tarzia, Davide Venturelli

Materials Science · Cross-listed from quant-ph

A Gauss-Bonnet Theorem for Quantum States: Gauss Curvature and Topology in the Projective Hilbert Space

Geometry and topology are fundamental to modern condensed matter physics, but their precise connection in quantum systems remains incompletely understood. Here, we develop an analytical scheme for calculating the curvature of the quantum metric of Bloch bands. Using a gauge-invariant formulation based on eigenprojectors, we construct the full Riemannian geometry of the quantum-state manifold and apply it to a two-dimensional two-band model. We find that the Gauss curvature is constant over regular regions, but the manifold inevitably develops a closed curve of singular points where the metric tensor degenerates. These singularities obstruct the conventional Gauss-Bonnet theorem. By introducing the notion of a front and a signed area form, we derive a generalized Gauss-Bonnet relation that includes a singular curvature term defined along the fold curve. This result establishes a direct, quantized link between the total signed Gauss curvature and the Chern number, providing a unified geometric interpretation of Berry curvature and quantum metric. This framework bridges differential geometry and topological band theory, revealing how singular folds mediate the discrepancy between quantum volume and topological charge.
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Statistical Mechanics

Real-Time Modeling of Skyrmion Dynamics in Arbitrary 2D Spatially Dependent Pinning Potential Landscapes

Non-flat energy landscapes leading to localized pinning of skyrmions pose an inherent and unavoidable challenge for studies of fundamental 2D spin structure dynamics as well as applications. Accounting for pinning is a key requirement for predictive modeling of skyrmion systems, as it impacts the systems' dynamics and introduces randomizing effects. In this article, we use magneto-optical Kerr microscopy to image skyrmions in a magnetic thin film system in real time and analyze their hopping dynamics within the non-flat energy landscape. To achieve a fully quantitative model, we utilize skyrmion diffusion and dwell times at pinning sites to extrapolate the pinning energy landscape into regions that cannot be sampled on reasonable experimental time scales. For evaluation with a coarse-grained Thiele model, we perform long-time measurements of skyrmion diffusion and then develop a two-step procedure to determine simulation parameters by comparing them to experimentally accessible behavior. This provides a direct conversion between simulation and experimental units, which is the missing key step that has previously prevented quantitative quasiparticle modeling. We demonstrate the predictive power of our approach by measuring the experimentally unexplored density dependence of skyrmion diffusion and show that it is in excellent agreement with simulation predictions. Our technique thus enables quantitative skyrmion simulations on experimental time and length scales, allowing for predictive in-silico prototyping of skyrmion devices.
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All authors Simon M. Fröhlich, Tobias Sparmann, Maarten A. Brems, Jan Rothörl, Fabian Kammerbauer, Klaus Raab, Sachin Krishnia, Mathias Kläui, Peter Virnau

Soft Condensed Matter

Modeling chiral active particles: from circular motion to odd interactions

In this paper, we discuss microscopic models for chiral active particles, i.e., rotating active units that exhibit circular or spinning motion. While non-chiral active particles are typically governed by self-propulsion and conservative interactions, the rotating motion of chiral particles generates additional non-conservative forces that cannot be derived from a potential. These manifest as effective transverse forces, acting perpendicular to the line connecting the centres of two interacting particles, and are referred to as odd interactions, because they break the mirror symmetry of the system. Here, we demonstrate that odd interactions arise from a limiting case of a well-established model describing spinning granular objects. In addition, we show that these models for chiral active objects give rise to a novel collective phenomenon that emerges uniquely from transverse forces and, hence, chirality. Specifically, the system undergoes a transition from a homogeneous phase to an inhomogeneous one characterised by regions depleted of particles, referred to as bubbles. This collective behaviour, termed BIO (bubbles induced by odd interactions), is a general emergent phenomenon arising from chirality and odd interactions. In this work, we review theoretical approaches to this problem, including a scaling argument and predictions for spatial velocity correlations that account for the BIO phase. Finally, we outline perspectives and open challenges concerning this collective phenomenon.
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Materials Science

Lattice excitations with finite polarization and magnetization

Ferrons are a type of quasiparticle corresponding to elementary excitations of the ferroelectric order. Analogously to how magnons modulate and transport magnetization, ferrons modulate and transport electric polarization. Here, we introduce multiferrons as elementary excitations with both electric and magnetic character. Multiferrons lead to a tilt and elliptical precession of the polarization and at the same time create a magnetization through the mechanism of dynamical multiferroicity. Using first-principles calculations for LiNbO$_3$, we show that the electric polarization of multiferrons is perpendicular to the equilibrium ferroelectric polarization, whereas the magnetization is parallel to it. Our calculations further demonstrate that multiferrons carry net electric and magnetic quadrupole and octupole moments, which we term multipolons. These multipolons could couple to internal multipolar degrees of freedom, for example in altermagnets, or to external probes such as neutrons, leading to potentially experimentally observable phenomena following coherent or thermal excitation of multiferrons.
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Materials Science

Atomically-resolved exciton emission from single defects in MoS$_2$

Understanding how atomic defects shape the nanoscale optical properties of two-dimensional (2D) semiconductors is essential for advancing quantum technologies and optoelectronics. Using scanning tunneling spectroscopy (STS) and luminescence (STML), we correlate the atomic structure and optical fingerprints of individual defects in monolayer MoS$_2$. A bilayer of hexagonal boron nitride (hBN) effectively decouples MoS$_2$ from the graphene substrate, increasing its band gap and extending the defect charge state lifetime. This enables the observation of sharp STML emission lines from MoS$_2$ excitons and trions exhibiting nanoscale sensitivity to local potential fluctuations. We identify the optical signatures of common point defects in MoS$_2$: sulfur vacancies (Vac$_\text{S}^-$), oxygen substitutions (O$_\text{S}$), and negatively charged carbon-hydrogen complexes (CH$_\text{S}^-$). While Vac$_\text{S}^-$ and O$_\text{S}$ only suppress pristine excitonic emission, CH$_\text{S}^-$ generate defect-bound exciton complexes ($A^-X$) about 200\,meV below the MoS$_2$ exciton. Sub-nanometer-resolved STML maps reveal large spectral shifts near charged defects, concurrent with the local band bending expected for band-to-defect optical transitions. These results establish an atomically precise correlation between structure, electronic states, and optical response, enabling deterministic engineering of quantum emitters in 2D materials.
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All authors Lysander Huberich, Eve Ammerman, Gu Yu, Yining Ren, Sotirios Papadopoulos, Chengye Dong, Joshua A. Robinson, Kenji Watanabe, Takashi Taniguchi, Oliver Gröning, Lukas Novotny, Tingxin Li, Shiyong Wang, Bruno Schuler

Mesoscale and Nanoscale Physics

The impact of dimensionality on universality of quantum Hall transitions

Regardless of model and platform details, the critical phenomena exhibit universal behaviors that are remarkably consistent across various experiments and theories, resulting in a significant scientific success of condensed matter physics. One widely known and commonly used example is the 2D quantum Hall transition; yet, its universal exponents still somewhat conflict between experiments, theoretical models, and numerical ansatzes. We study critical behaviors of quasi-2D Weyl semimetal systems with a finite thickness $L_z>1$, disorder, and external magnetic field $B_z$. By analyzing the scaling behaviors of the localization lengths and local density of states using recursive methods, we find that the finite thickness yields a deviation from the 2D quantum Hall universality ($L_z=1$ case) and a crossover toward the 3D Gaussian Unitary Ensemble ($L_z\rightarrow \infty$ limit), potentially offering another cause of the discrepancy. Our work demonstrates the often-overlooked importance of auxiliary degrees of freedom, such as thickness, and that 3D quantum Hall physics is not merely a trivial finite-thickness extension of its 2D counterpart.
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Statistical Mechanics · Cross-listed from nlin.PS

Synchronization of nonlinearly coupled Stuart-Landau oscillators on networks

The dynamics of coupled Stuart-Landau oscillators play a central role in the study of synchronization phenomena. Previous works have focused on linearly coupled oscillators in different configurations, such as all-to-all or generic complex networks, allowing for both reciprocal or non-reciprocal links. The emergence of synchronization can be deduced by proving the linear stability of the limit cycle solution for the Stuart-Landau model; the linear coupling assumption allows for a complete analytical treatment of the problem, mostly because the linearized system turns out to be autonomous. In this work, we analyze Stuart-Landau oscillators coupled through nonlinear functions on both undirected and directed networks; synchronization now depends on the study of a non-autonomous linear system and thus novel tools are required to tackle the problem. We provide a complete analytical description of the system for some choices of the nonlinear coupling, e.g., in the resonant case. Otherwise, we develop a semi-analytical framework based on Jacobi-Anger expansion and Floquet theory, which allows us to derive precise conditions for the emergence of complete synchronization. The obtained results extend the classical theory of coupled oscillators and pave the way for future studies of nonlinear interactions in networks of oscillators and beyond.
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All authors Wilfried Segnou, Riccardo Muolo, Marie Dorchain, Hiroya Nakao, Timoteo Carletti

Statistical Mechanics · Cross-listed from nlin.AO

Active matter synchronization and synergetics

We study the collective behavior in a stochastic agent-based model of active matter. Provided a critical take-up of energy, agents produce two types of goods $x$, $y$ that follow a generalized Lotka-Volterra dynamics. For isolated agents, production would either reach a fixed point or diverge. Coupling agents' production via a mean field of $x$, however, can lead to synchronized oscillations if agents cooperate in the production of $x$. The production of $y$ supports the emergence of the synchronized dynamics by suppressing fluctuations and mitigating competition between agents, this way stabilizing the production of $x$. We find that in the synchronized state different groups of agents coexist, each following their own limit cycle. The Kuramoto order parameter is large within groups, and small across groups. The collective state is stable against shocks from agents temporarily switching between cooperation and competition. The model dynamics illustrates the principles of synergetics, i.e., the spontaneous emergence of order given a critical energy supply and cooperative interactions.
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All authors Frank Schweitzer, Georges Andres, Adrien Baut, Giona Casiraghi, Christoph Gote, Ramona Roller

Soft Condensed Matter

Experimental and simulation study of resin infiltration in carbon fiber rovings

Continuous-fiber-reinforced polymers are vital for lightweight structural applications, where fiber-matrix wetting critically influences composite performance. Understanding dynamic wetting behavior during resin infiltration remains challenging, especially under realistic processing conditions. Here we investigate the dynamic wetting of commercial carbon fiber rovings by a commonly used epoxy resin through combined optical experiments and two-phase flow simulations informed by microscale roving geometries. We measure velocity-dependent advancing contact angles and observe roving geometry changes during capillary-driven resin infiltration. Simulations using microscale-derived capillary pressure and permeability parameters quantitatively reproduce the time-dependent infiltration dynamics. Our findings demonstrate that while dynamic contact angles vary with velocity, the microscale roving structure predominantly governs resin impregnation behavior. This integrated experimental and modeling approach enhances insight into fiber-resin interactions, offering a pathway to optimize composite manufacturing processes and improve material quality.
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All authors Dominik Burr, Rudi Reichenbächer, Christina Scheffler, Konrad Steiner, Günter K. Auernhammer

Materials Science

Atomic cluster expansion potential for the Si-H system

The silicon-hydrogen system is of key interest for solar-cell devices, including both crystalline and amorphous modifications. Elemental amorphous Si is now well understood, but the atomic-scale effects of hydrogenating the silicon matrix remain to be fully explored. Here, we present a machine-learned interatomic potential model based on the atomic cluster expansion (ACE) framework that can describe a wide range of Si-H phases, from crystalline and amorphous bulk structures to surfaces and molecules. We perform numerical and physical validation across a range of hydrogen concentrations and compare our results to experimental findings. Our work constitutes an advancement toward the exploration of large structural models of a-Si:H at realistic device scales.
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Materials Science

Specimen preparation for atom probe tomography analysis of complex multifunctional nanoparticles and nanostructures: state-of-the-art and challenges

Atom probe tomography (APT) provides the three-dimensional composition of materials at near-atomic length scales, achieving detection limits in the range of tens of atomic parts-per-million regardless of element type. APT requires the specimen to be shaped as a needle with a tip radius of ~100 nm. The development of site-specific lift-out procedures using focused ion beam-scanning electron microscopy (FIB-SEM) has enabled APT analysis of multifunctional materials, advancing our understanding of their structure-composition-property relationships. Yet these approaches are not readily suitable for analyzing many nanomaterials. Co-electrodeposition of metallic films forms a composite containing the nanomaterials of interest, thereby facilitating APT specimen preparation and enabling analysis of nanowires, nanosheets, and nano- and microparticles, etc. In this perspective article, we showcase diverse examples from simple elementary to compositionally complex alloys of varying dimensionalities, from individual nanoparticles to aerogel structures. We emphasize the challenges encountered with specific material classes during co-electrodeposition procedures and provide recommendations for improving specimen preparation protocols to enhance measurement yield, thereby advancing APT analysis capabilities for optimizing the performance of functional nanomaterials.
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All authors Varatharaja Nallathambi, Se-Ho Kim, Nikita Polin, Natalia F. Shkodich, Sven Reichenberger, Stephan Barcikowski, Baptiste Gault

Materials Science

Transitions between positive and negative charge states of dangling bonds on a halogenated Si(100) surface

Dangling bonds (DBs) are common defects in silicon that affect its electronic performance by trapping carriers at the in-gap levels. For probing the electrical properties of individual DBs, a scanning tunneling microscope (STM) is an effective instrument. Here we study transitions between charge states of a single DB on chlorinated and brominated Si(100)-2$\times$1 surfaces in an STM. We observed transitions between positively and negatively charged states of the DB, without the participation of the neutral state. We demonstrated that the $(+/-)$ transition occurs when the DB and substrate states are out of equilibrium. This transition is related to the charge neutrality level (CNL), which indicates a change in the DB's character from donor-like to acceptor-like. The STM voltage at which the $(+/-)$ transition took place varied depending to the electrostatic environment of the DB. Our results complement the understanding of the electronic properties of the DBs, and they should be taken into account in applications that use charge manipulation on the DBs.
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Materials Science

Calculations of pathways of precise P incorporation into chlorinated Si(100) surface

The precise incorporation of a phosphorus atom into a silicon surface is essential for the fabrication of nanoelectronic devices in which the active area is formed from single impurities. The most accurate approach employs scanning tunneling microscopy (STM) lithography, which may be done with atomic precision. However, the accuracy decreases when phosphorus is incorporated into the surface because P substitutes one of two neighboring Si atoms with equal probability. Here, the P-Si exchange mechanism was studied theoretically on a chlorinated Si(100) surface with an asymmetric configuration of Cl vacancies surrounding the P atom. Density functional theory was used to estimate the activation barriers and exchange rates between a P atom and neighboring Si atoms on a Si(100)-2$\times$1-Cl surface with three Cl vacancies. The calculation of various P-Si exchange pathways revealed that phosphorus has a higher probability of substituting one Si atom than the others due to the asymmetric configuration of Cl vacancies. Based on the theoretical study of the P-Si exchange mechanism and experimental results from previous works, a scheme for controlled P incorporation into the silicon surface without uncertainty is proposed.
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Other Condensed Matter

Chiral polariton transport enabled by optical spin Hall effect in perovskite waveguides

Controlling the spin degree of freedom of light at the microscale is crucial for advancing photonic information processing. Spin polarized light propagation, combined with strong optical nonlinearities, unlocks new functionalities in compact photonic circuits and active spin optronic devices. Lead halide perovskite exciton polaritons uniquely combine room temperature operation, pronounced nonlinearities, and versatile microstructuring, making them a powerful platform for spin based photonic technologies. Here, we demonstrate polarized edge emission from polariton condensates in perovskite single crystals predesigned into a microwire, forming natural, DBR free cavity. Above threshold, we observe a distinct waveguiding optical spin Hall effect pattern in both real- and reciprocal-space emission, accompanied by pseudospin phase locking arising from coherence between opposite edges. Beyond static polarization textures, we achieve spin-resolved polariton edge lasing with chirality exceeding 80% and spin-polarized signal propagation over tens of micrometres. These results establish CsPbBr3 waveguides as a promising easy to fabricate platform for on chip spin coded information transport and nonlinear spin optoelectronics.
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All authors Mateusz Kędziora, Andrzej Opala, Maciej Zaremba, Helgi Sigur{\dh}sson, Barbara Piętka

Materials Science

Surface diffusion of phosphorus on Si(100) after PBr3 adsorption

Phosphorus diffusion on a Si(100) surface was studied using scanning tunneling microscopy (STM) at temperatures of 77 and 300 K. The phosphorus source utilized was the PBr$_3$ molecule, which fully dissociates on the surface at 77 K. We observed diffusion of P atoms both along and across the rows of Si dimers. To support the observation of different diffusion pathways of phosphorus, activation energy calculations were performed using density functional theory. At 77 K, phosphorus diffusion started and (or) finished mostly in bridge positions. At 300 K, phosphorus diffuses predominantly between end-bridge positions, accompanied by bromine diffusion. The presence of Br near phosphorus significantly restricts its mobility. Additionally, phosphorus was found to diffuse to an oxygen atom that appeared on the surface as a result of water adsorption. This diffusion occurs because the P site near the oxidized dimer is more stable compared to that on the clean surface. The obtained results complement the knowledge about the interaction of phosphorus with the silicon surface, specifically the phosphorus diffusion pathways on the Si(100) surface.
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Soft Condensed Matter

Mapping the discrete folding landscape

Folding is emerging as a promising manufacturing process to transform flat materials into functional structures, offering efficiency by reducing the need for welding, gluing, and molding, while minimizing waste and enabling automation. Designing target shapes requires not only to determine cuts and folds, but also folding pathways. Simple combinatorics is impractical as the possibilities grow factorially with the number of folds. To address this, we present a graph-based algorithm for polyhedral shapes. By representing the target shape as a graph, where nodes correspond to faces and edges represent adjacency, the algorithm identifies all possible fold sequences and maps the configuration space into a discrete set of intermediate configurations. This systematic mapping is critical for the design of optimized processes, the simplifying of folding operations, the reduction of failures, and the improvement of manufacturing reliability.
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All authors João C. Neves, Bernardo R. Marques, Cristóvão S. Dias, Nuno A. M. Araújo

Materials Science

Quantifying non-Gaussian diffusion in transient microscopy using excess kurtosis

Research on energy transport has advanced in recent years with the emergence of transient microscopy techniques that allow for imaging of carriers with high spatial and temporal resolution. In this context, transient scattering microscopy (TScM), has emerged as an alternative to traditional techniques. However, the sensitivity of TScM to different carriers can complicate the interpretation of results, highlighting the need to develop models tailored to TScM. Here, TScM is used to visualize exciton transport in bulk TMDCs. We show that exciton populations exhibit non-Gaussian profiles by analyzing the their excess kurtosis. Numerical simulations incorporating anomalous diffusion – such as Auger recombination and trap states – reproduce these experimental observations. Furthermore, by tuning the injected carrier density, we demonstrate that the temporal signature of the kurtosis is distinct for Auger-dominated and trap-dominated regimes. Additionally, we find that traditional Gaussian-fitting methods can yield inconsistent results for the extracted diffusivities. As an alternative, we implement a discrete variable calculation which yields robust, consistent diffusivity values. Our results establish kurtosis as a vital diagnostic parameter for identifying anomolous diffusion and demonstrate the necessity of moving beyond Gaussian approximations for accurate analysis of TScM data.
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All authors Enrique Arévalo Rodríguez, Marc Meléndez Schofield, Jorge Cuadra, Ferry Prins