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Physics Condensed Matter

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Friday 25 September

Strongly Correlated Electrons

Multiorbital periodic Anderson model for CeRh2As2

CeRh2As2 is a heavy-fermion superconductor that exhibits distinct low- and high-field superconducting phases, widely interpreted as reflecting a field-induced change in the parity of the order parameter. However, the superconductivity develops in close proximity to magnetic order whose microscopic origin and nature remain unclear. Moreover, the low-lying crystal-electric-field-split doublets of the Ce 4f electrons appear to realize an unusual "quasi-quartet" structure. This has motivated proposals that quadrupolar degrees of freedom play an important role in the low-temperature physics. Here we develop a microscopic heavy-fermion description of CeRh2As2 that incorporates both the quasi-quartet structure and the nonsymmorphic symmetry. Within a multiorbital periodic Anderson model, we include the lowest-lying $\Gamma_7$ and $\Gamma_6$ doublets of the Ce 4f electrons, and allow for nonlocal hybridization with the conduction d electrons. Single occupancy of the 4f states is enforced within the rotationally invariant slave-boson formalism. Adopting a mean-field treatment, we first show that the effective low-energy Hamiltonian is accurately captured by a single-orbital tight-binding model, justifying the minimal descriptions widely employed in the literature. Allowing for a magnetic ground state, we find that our model displays metallic $\mathbf{Q}=(\pi,\pi)$ antiferromagnetic order over a wide parameter regime. Ferromagnetic solutions also occur, but in a smaller region of parameter space and with greater sensitivity to carrier concentration and the form of the f-d hybridization. Quadrupolar moments appear only within magnetically ordered phases and are generally small, becoming substantial only when the $\Gamma_7$ and $\Gamma_6$ doublets are nearly degenerate. Our results provide a microscopic basis for understanding the itinerant heavy-fermion physics and ordered phases of CeRh2As2.
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Statistical Mechanics · Cross-listed from q-bio.MN

Large-deviations theory for growing chemical reaction networks

Growing biochemical systems are intrinsically noisy, with one important source of stochasticity arising from the discrete reaction events of the underlying biochemical network. Because growing systems do not generally admit stationary abundance distributions, it is unclear how to separate this intrinsic chemical noise from other sources of variability in population and single-cell data. Here we develop a large-deviation theory for exponentially growing stochastic chemical reaction networks by decomposing abundance into volume and composition. In these coordinates, balanced growth corresponds to a stable composition together with exponentially increasing volume. We show that composition fluctuations satisfy a large-deviation principle with speed equal to the volume of the growing system, and the corresponding quasipotential is selected by a solution of the contact Hamilton–Jacobi equation. We also derive a fluctuation theory for accumulated observables and show that their covariances decay with accumulated-volume, rather than with physical time. Applications to a minimal autocatalytic network and a coarse-grained cellular growth model demonstrate how the theory predicts composition quasipotentials, growth-rate fluctuations, and correlations between observables. The framework therefore provides a stochastic null model for single-cell heterogeneity generated by the intrinsic stochasticity of the underlying chemical reaction network.
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Statistical Mechanics

Representation-Aware Transport-Information Measure for Non-inclusive Discrete Supports

Information-theoretic measures for comparing probability distributions are widely used across physics and other fields. When two discrete distributions have non-inclusive supports, however, the Kullback-Leibler (KL) divergence is in general not directly applicable, and various alternative divergences and distances have been introduced. These measures compare the resulting distributions themselves, but do not generally retain information about the representation transformations by which the discrete distributions are generated from underlying continuous ones. Here we introduce a representation-aware transport-information measure for discrete distributions with non-inclusive supports, formulated based on the standard KL divergence. We consider two continuous reference distributions, each transformed into a discrete representation through its own discretization scheme. Rather than comparing only the resulting discrete distributions or their continuous references, we additionally retain local information associated with the representation-change schemes. The resulting measure can therefore distinguish discrete representations that may have identical discrete probability landscapes but originate from different continuous references or discretization schemes. The construction is based on the transport-information cost of continuous-to-discrete representation in the framework of unavoidable canonical nonlinearity (UCN). UCN provides a non-arbitrary correspondence between the transport cost of discretization as an extrinsic geometric operation and the information-theoretic indistinguishability of nearby continuous distributions, thereby allowing a discrete representation to be associated with a local family of underlying continuous distributions on the statistical manifold.
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Soft Condensed Matter

Emergence of Nanoscale Modulation in Liquid Crystals as a Result of Short-Range Order Parameter Condensation

The discovery of the twist-bend nematic phase in liquid crystals composed of bent-core and dimeric molecules has revealed an unexpected mechanism for the spontaneous formation of nanoscale periodic structures in soft condensed matter. Unlike conventional liquid-crystalline phases, the twist-bend phase exhibits a nanoscale heliconical modulation despite the absence of molecular chirality. In this note, dedicated to the late R. Meyer, we discuss a Landau phenomenological interpretation of this phenomenon. The central idea is that a short-range orientational order parameter undergoes condensation, giving rise to a heliconical structure characterized by a finite wave vector. We emphasize that the conventional nematic order is already long-ranged, whereas the additional order parameter describes local orientational correlations hidden within the nematic state. The resulting phase transition bears a close analogy to the de Gennes theory of the nematic–smectic-A transition. Fluctuation effects are expected to drive the transition weakly first order. The theory also predicts a new Goldstone mode associated with the spontaneously broken continuous symmetry of the heliconical state
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Materials Science

Infrared laser stimulated broadband white emission of transparent Cr:YAG ceramics obtained by solid state reaction sintering

In the present work, the Light Induced White Emission (LIWE) was investigated as one of the sources of laser loss in transparent Cr:YAG ceramics. We have found that transparent Cr:YAG ceramics is capable of generating bright LIWE at excitation powers above a certain threshold. Intensity of LIWE strongly depends on the excitation power and ambient pressure. The host temperature estimated from Cr3+ luminescence was found to be below 600{\deg}C, while the most intense white emission was found between 50-400{\deg}C. The mechanism of the laser induced white emission was discussed in terms of Intervalence Charge Transfer (IVCT) in chromium mixed valence pair.
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Materials Science · Cross-listed from physics.optics

Laser induced broad band white emission from transparent Cr4+:YAG ceramics: Origin of broadband emission

Laser-induced white (light) emission was observed from transparent Cr:YAG ceramics irradiated with a focused continuous wave beam of light from an infrared laser diode. The laser-induced white emission is detected only on the surface of the sample and is not observed in volume. It is found that the intensity of the emission increases exponentially with the laser power density above the threshold. The impact of broadband emission on the power of the transmitted laser beam through the sample was measured. The disappearance of broadband emission due to displacement of the laser beam or an increase in ambient pressure leads to a decrease in the power of transmitted laser beam. Origins of the laser-induced white light emission along with its characteristic features are discussed in terms of multiphoton absorption, intervalence charge transfer and ionic space charge models.
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Soft Condensed Matter

A Bonded-Particle Discrete-Element Model with Self-Gravity for the Collision and Reaccumulation of Rubble-Pile Asteroids: Formulation and Numerical Protocol

I present a discrete-element approach developed to study the collisional and gravitational evolution of small self-gravitating granular aggregates. Each body is represented as a composite of cohesively bonded spherical grains, so that fragmentation and reaccumulation emerge from the microscopic competition between short-range dissipative contact forces, an irreversible bond-breaking criterion, and pairwise Newtonian self-gravity summed over every particle pair, including those internal to a single body. A numerical experiment is described: a random-sequential packing procedure that generates two bonded spherical aggregates, a controlled two-body encounter with tunable approach speed and impact parameter, and a systematic parameter sweep designed to map the conditions under which two bodies launched from rest under their mutual gravity alone either merge into a single remnant or fail to settle after a low-speed encounter. Of the 125 simulated collisions, 56.8% result in the formation of a single residue. The cohesive network remains intact for $\Pi_\sigma\lesssim0.036$, is partially damaged with dispersion determined by the contact damping ratio, and breaks completely for $\Pi_\sigma\approx3.59$
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Materials Science

Thorium-229 as a Phonomagnetometer

Thorium-229 possesses the only known low-energy nuclear transition suitable for spectroscopy with narrowband VUV lasers. While previous experiments have focused on application as a nuclear clock, this transition also offers a route to high-accuracy magnetometry. Experimental observations of magnetic fields generated by phonons carrying angular momentum remain inconclusive, highlighting the need for quantitative tests of the underlying physical mechanisms. In this article, we propose doping thorium-229 into a solid-state host to probe phonomagnetic fields in situ. We identify Na$_2$ThF$_6$, a chiral stoichiometric thorium compound, as a promising host material and evaluate its spectroscopic sensitivity to magnetic interactions under two excitation schemes: driving degenerate phonon modes with a circularly polarized laser, and applying a temperature gradient. Density functional theory simulations combined with quantitative estimates suggest that the temperature-gradient scheme yields a magnetic signal that appears too weak to be measurable, while a circularly polarized, high-intensity THz/VUV pump-probe driven phonomagnetic response may approach the shot-noise-limited detection threshold. While experimental challenges remain, the unique suitability of thorium-229 provides a testable pathway toward detecting phonomagnetic fields in a solid-state platform.
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All authors Martin Pimon, Andreas Grüneis, Thorsten Schumm, Kjeld Beeks

Strongly Correlated Electrons

Systematic Evolution of Magnetic Anisotropy and Crystal-electric-field Ground States in SmTr2Ge2

We investigated the crystal-electric-field (CEF) states in SmTr2Ge2 (Tr= Co-Cu and Ag) with the ThCr2Si2-type structure by magnetization and specific heat measurements. The magnetic anisotropy evolves systematically with Tr, changing from an easy ab plane for Tr = Co and Ni to an easy c axis for Tr = Cu and Ag. Combined analyses of the low-temperature susceptibility and magnetic entropy indicate a level crossing of the CEF ground state between Ni and Cu, together with a systematic evolution of the first excited CEF energy. The evolution of the magnetic properties correlates with changes in local structural parameters, providing an experimental basis for discussing how the ligand environment around the Sm ion is related to the 4f electronic state.
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All authors Ryuji Higashinaka, Kokoro Higo, Tatsuma D. Matsuda, Yuji Aoki

Materials Science

Universal Drift Correction for Multidimensional Scanning Microscopy

In scanning microscopy, drift causes the specimen to be sampled at positions displaced from the nominal probe positions. This displacement alters the spatial assignment of the recorded signals and biases quantitative measurements across two-dimensional imaging, channel-resolved spectroscopic mapping, and scan-position-resolved diffraction analysis. Here, we extend orthogonal-scan drift correction from 2D images to spectrum images and diffraction datasets. We demonstrate how to recover probe positions using either differently oriented multidimensional scans or structural reference images. The recovered positions are used either to resample the multidimensional data onto a regular grid or to assign each recorded signal to its corrected coordinate. Our method combines affine and non-rigid correction, requires no prior structural model, and is implemented as open-source, GPU-accelerated software that reduces processing times by two to three orders of magnitude, enabling routine and automated drift correction for quantitative multidimensional microscopy.
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All authors Sangjoon Lee, William Millsaps, Dasol Yoon, Caitlyn Obrero, Guoliang Hu, Corrie Barnes, Cedric Lim, Andrew Barnum, Arthur R. C. McCray, Colin Ophus

Materials Science

Rare-earth Bilayer Triangular Lattice as a Platform for Tunable Ground States and Field-induced Magnetic Phases

Rare-earth bilayer triangular lattice (TL) antiferromagnets provide a versatile platform for realizing diverse magnetic states by combining geometric frustration, interlayer coupling, and strong single-ion anisotropy. Here, we report a family of R2O2Se (R = Sm, Eu, Tb-Lu; ROSe) single crystals featuring bilayer equilateral TLs. Magnetic susceptibility and specific-heat measurements reveal predominantly antiferromagnetic (AFM) interactions and diverse magnetic ground states across the series, including successive AFM transitions in TbOSe and single AFM transitions in SmOSe, DyOSe, HoOSe, and YbOSe. Notably, DyOSe and HoOSe exhibit pronounced 1/2 magnetization plateau-like features for fields along the c-axis, revealing field-induced magnetic states. In HoOSe, complementary thermodynamic and magnetization measurements resolve three critical fields and a rich field-temperature phase diagram containing five distinct magnetic phases. These results establish rare-earth bilayer TLs as a chemically tunable materials platform for accessing novel quantum spin states through the interplay of lattice geometry, single-ion anisotropy, and competing magnetic interactions.
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All authors Jianqiao Wang, Fangli Li, Yangyang Yu, Quan Xiao, Zhibin Qiu, Liusuo Wu, Shu Guo

Materials Science

Energetically Driven Structure Matching for Autonomous Total X-ray Scattering Experiments

The emergence of autonomous laboratories motivates rapid conversion of experimental data into reliable atomistic models on time-scales compatible with closed-loop optimization. Here we develop an energetically driven structure matching framework for analysis during ongoing total X-ray scattering experiments. Using data from gold nanoparticles, we match against idealized spherical, octahedral, decahedral, and icosahedral geometries, their machine-learned interatomic potential (MLIP)-relaxed structures, and molecular dynamics (MD) ensembles. Idealized models are fast to generate but can misassign morphology and systematically underestimate size by neglecting surface relaxation, strain, and thermal disorder. MLIP relaxation markedly improves both, while MD ensemble averaging agrees best with experiment. We therefore introduce a hierarchical workflow combining rapid idealized screening with targeted MLIP and MD refinement of top candidates, delivering improved structural feedback without interrupting autonomous operation. This framework provides a route towards autonomous campaigns in which the target structure itself can be updated in response to the evolving energy landscape of structures compatible with the experimental data.
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All authors Emil J. P. Frost, Martin A. Karlsen, Jonas H. Jensen, Rodrigo Moreno, Jørn Lambertsen, Jonathan Quinson, Andy S. Anker, Alexander Bagger, Tejs Vegge

Materials Science

When Is Molecular-Dynamics-Predicted Ionic Conductivity Reliable in Solid Electrolytes?

Molecular dynamics is widely used to predict ionic conductivity in solid electrolytes, but the reliability of these predictions is often difficult to assess. Our analysis identifies finite trajectory length, limited cell size, and insufficient sampling as intrinsic limitations of finite atomistic ion-transport calculations. Cubic Li7La3Zr2O12 is used as a representative solid electrolyte to quantify their consequences. These limitations can remain hidden behind apparently linear mean-squared displacements and well-behaved Arrhenius relations, leading to inaccurate diffusivities, activation energies, and extrapolated ionic conductivities. Such inaccuracies can misrank candidate solid electrolytes and consequently misdirect computational screening and experimental validation. Here, we establish the local mean-squared-displacement exponent, {\alpha}(t), as a quantitative reliability criterion that links dynamical convergence to errors in diffusivity and Nernst-Einstein ionic conductivity. The criterion further determines the minimum trajectory length required to achieve a prescribed accuracy as a function of temperature. Independent replicas reduce statistical uncertainty, while selective single-axis expansion mitigates finite-size effects. By establishing when simulated ionic conductivity is quantitatively trustworthy, this approach enables more reliable materials ranking and more efficient use of computational and experimental resources, thereby accelerating the development of high-performance solid electrolytes for solid-state batteries.
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All authors Yiwei You, Shaofei Chen, Zhifeng Wu, Pushun Lu, Eric Jianfeng Cheng, Songyan Chen, Shunqing Wu

Materials Science

Engineering Ferromagnetism in Wide Bandgap w-AlN for Spintronic Applications: Insights from DFT Calculations

Spintronics drives the search for functional materials, pursuing room-temperature dilute magnetic semiconductors to realize practical, energy-efficient devices. This paper presents a theoretical investigation into the magnetic properties of w-AlN doped with Cr, Ru, and Rh atoms, using spin-polarized density functional theory calculations with supercell models. Calculations of point-defect formation energies as a function of the Fermi level predict that Cr4+, Ru4+, and Rh3+ are the most favorable charge states substituting Al in w-AlN. With these preferred charge states, Cr-doped AlN is stable in the ferromagnetic state, preferable for spintronic devices, across a wide concentration range (1.85 to 16.67% of Al). Conversely, Ru- and Rh-doped AlN are unstable in the ferromagnetic state relative to the antiferromagnetic state. Further investigation into the electronic density of states reveals a fascinating evolution: for Cr concentrations below 5.56%, the Fermi level resides within the band gap directly above the valence band maximum, keeping the system insulating. It transitions to a high-spin half-metallic state between 7.40% and 12.96%, and finally transforms into a normal metal at 16.67% Cr. This behavior is absent in the DOS of the antiferromagnetic model of Ru- and Rh-doped systems, where insulating and metallic behaviors instead appear non-sequentially with varying concentrations.
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Materials Science

The conductance filtration: sink-relative persistence and exact edge sensitivity for heat transport in particle-filled composites

We formulate the thermal conductance $g_e$ of a particle pair as three branch types – contact, near-contact and bond – within a single construction, and we introduce the filtration that takes this $g_e$ as its axis (the conductance filtration) together with persistence taken relative to the sink boundary. We then show that the dissipation share is exactly the logarithmic sensitivity of the effective conductance, and that a finite change of a single edge is predicted exactly in closed form. The allocation of the dissipation among branch types, and the idealisation ratio of each mechanism (interface, matrix and particle), are thereby obtained as diagnostic quantities on one and the same graph representation.
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Quantum Gases

Front-based construction of quantum droplets, bubbles, and hole states in a Bose mixture

We study nonlinear holes, bubbles, kink fronts, and quantum-droplet-like states in an elongated Bose mixture governed by an extended Gross-Pitaevskii equation with attractive cubic mean-field interactions and repulsive quartic Lee-Huang-Yang contribution. We classify the constant-amplitude backgrounds: the Bogoliubov-de Gennes spectrum shows that the upper branch is modulationally stable, whereas the lower branch is unstable to long-wavelength perturbations. Grand-potential and pressure determine the vacuum-finite-density coexistence point and the unique background supporting stationary kink and antikink fronts. Symmetric holes on the stable background have a density deficit and integral width that diverge near coexistence as the hole separates into two nonlinear fronts. A multiplicative kink-antikink construction connects bell-shaped states to broad flat-top droplets and approaches the stationary quantum-droplet family as the front separation increases. An antikink-kink sum with equal signs generates bubble-like density depletions without a phase jump, whereas their difference produces dark-hole-like profiles with a $\pi$ phase difference between the asymptotic backgrounds. Bubble depth increases with front separation, distinguishing gray-like and dark-like profiles. Real-time simulations show that deep bubbles persist under weak random perturbations, demonstrating finite-time robustness without establishing spectral stability. In the asymmetric two-component model, localized relative-density modes can induce spinor-driven breakup on a modulationally stable background, while robust holes persist near the kink limit. Collisions of kink-antikink droplet-like states display phase-dependent merging, asymmetric particle transfer, and effective reflection. These results connect nonlinear fronts with bubbles, phase-jump holes, and self-bound droplets in beyond-mean-field Bose mixtures.
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Superconductivity

Topological Superconducting Phases in a Strained Altermagnet-Superconductor Heterostructure

We investigate topological superconductivity in a heterostructure consisting of a two-dimensional $s$-wave superconductor and a $d$-wave altermagnet with Rashba spin-orbit coupling. In particular, we study the effects of strain and hopping anisotropy on the topological superconducting phases. By calculating the Chern number, we obtain topological phase diagrams as functions of the chemical potential and the strength of the effective magnetic field induced by the magnetic proximity effect. We find that strain-induced lattice distortion allows topological superconducting phases to emerge over a broad parameter region. Our findings suggest that strain that lowers symmetry can serve as a route to realizing topological superconductivity in altermagnet-superconductor heterostructures.
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Mesoscale and Nanoscale Physics

Observation of the electronic Pomeranchuk effect in generalized Wigner crystals of twisted MoS$_2$

Moire superlattices in transition metal dichalcogenides provide a highly tunable platform for exploring strongly correlated electronic phases, such as generalized Wigner crystals. While these crystalline states typically melt with increasing thermal fluctuations, an electronic analogue of the Pomeranchuk effect can stabilize the localized solid phase at elevated temperature through isospin entropy. Here, we report the observation of an electronic Pomeranchuk effect at the fractional filling factors of $\nu = 1/3$ and $\nu = 1/4$ in AB-stacked twisted bilayer MoS$_2$ with twist angles of 4.1$^\circ$ and 3.9$^\circ$, respectively. At ultra-low temperature, the system exhibits a highly conducting, itinerant behavior at these fractional fillings, characteristic of a compressible Fermi-liquid ground state. Upon heating, the system exhibits a counterintuitive increase in the longitudinal resistivity, signaling an isospin-entropy-driven transition into a localized generalized Wigner crystal state. Our findings highlight the unique capacity of flat bands in twisted bilayer MoS$_2$ for stabilizing highly degenerate magnetic configurations, offering new insights into the thermodynamic phase diagrams of low-dimensional correlated systems.
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All authors Xinjie Fang, Linfeng Wu, Naitian Liu, Le Zhang, Wenqiang Zhou, Jing Ding, Zhangyuan Chen, Hanxiao Xiang, Yue Xiao, Kenji Watanabe, Takashi Taniguchi, Shuigang Xu

Materials Science

A hydrogen-informed Rice-Beltz model for crack-tip dislocation emission under mixed-mode loading

The fundamental competition between crack-tip cleavage and dislocation emission dictates the ductile-to-brittle transition in crystalline solids. In hydrogen-charged environments, this delicate balance is disrupted, yet existing models often struggle to self-consistently capture the atomic-scale thermomechanical modulation of the emission barrier. Here, we propose the hydrogen-informed Rice-Beltz framework to quantify the critical stress intensity factors (SIFs) required for initial dislocation nucleation under mixed-mode (I+II) loading. By integrating the elastic interaction of the dilatational field of interstitial hydrogen and the applied stress fields against the incipient dislocation core, the model recovers the non-monotonic relation between the most probable SIF and the hydrogen concentration. Unlike the classical pure mode-I (or mode-II) scenario, the minimization of the local strain energy density is employed to generate closed-form nominal driving forces, which are subsequently embedded into a transition-state-theory framework. This atomistically-informed approach yields the most probable SIF for the first dislocation emission event as a function of the loading rate, slip angle, and hydrogen concentration, providing a rigorous, parameter-free boundary condition for the onset of hydrogen-modulated crack-tip plasticity.
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Statistical Mechanics · Cross-listed from hep-th

Genuine Multi-Entropy of Fully Symmetric Gaussian States

We study the tri-partite genuine Rényi multi-entropy of fully symmetric Gaussian states as a function of the squeezing parameter for different total number of bosonic modes under different subsystem configurations. Exact results for a few modes are obtained, and we conjecture an asymptotic formula at the limit of large squeezing parameter as a function of the replica index $n$, while also finding subleading subsystem-size dependent terms for $n=3$ under a specific tripartition. We analytically show that the genuine $n=2$ Rényi multi-entropy of any pure bosonic Gaussian states is zero for any number of modes and for any tripartition. Furthermore, to investigate the dependence on subsystem size, we plot the curve of genuine Rényi multi-entropy as a function of the number of modes in the subsystems while keeping the total number of modes fixed. We discuss differences and similarities between this result and studies of the multi-entropy curve for Haar random states. In particular, we identify a subsystem size configuration related with the multi-entropy time in an evaporating black hole for which the behavior of the genuine multi-entropy changes.
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Materials Science

Strain-controlled topology and quantum control at a cubic Ce$^{3+}$ crystal-field crossing

Field-tuned crystal-field crossings provide a route to synthetic topology in localized rare-earth degrees of freedom when symmetry-resolved perturbations can independently control the crossing states. Here we show that a field-induced crossing in cubic Ce$^{3+}$ has precisely this structure. For $B\parallel[001]$, the crossing is protected by a twofold rotation, while the $T_{2g}$ shears $\epsilon_{xz}$ and $\epsilon_{yz}$ break that protection and mix the two states through orthogonal pseudospin components. Together with magnetic-field detuning, these controls generate an isolated diabolical point with unit-magnitude Chern charge in a three-dimensional parameter space. Using the CeTe crystal-field scale gives an ideal single-ion crossing near $35.5$ T. A calibrated point-charge calculation gives a representative projected shear coupling $|\alpha_{T_{2g}}|\simeq18.1$ meV per unit tensor strain, corresponding to gaps of $0.036$ and $0.072$ meV for tensor shears of $0.10\%$ and $0.20\%$. We identify the associated elastic and magnetic signatures, discuss the limitations of the electrostatic estimate in a hybridizing Ce compound, and determine the adiabatic and coherence requirements for cyclic geometric control. The result is a symmetry-based framework that connects high-field crystal-field reconstruction, strain response, and parameter-space topology in rare-earth systems.
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Superconductivity

Electrochemical Growth of Full Volume Meissner Effect Superconducting BKBO

In this work we show the results of electrochemical synthesis of BKBO crystals using three different experimental setup configurations. The setups differ between each other by varying level of control over physical variables and progressing from a two-electrode to a three-electrode configuration using highly oriented platinum counter electrode. By systematic analysis of the temperature dependence of the magnetic susceptibility at the superconducting transition of the collected crystals we observe that an order of magnitude sharper superconducting transition is achieved for the most comprehensive three-electrode setup. In addition, the level of chemical substitution can be controlled by the value of the overpotential versus reference electrode. We demonstrate that with this technique a full volume Meissner effect can be achieved with a sharp transition temperature for the superconducting crystal.
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All authors Oleksandr Foyevtsov, Kateryna Foyevtsova, Mohamed Oudah, Dan Bizzotto, George Sawatzky

Soft Condensed Matter

Realignment of ferroelectric nematic by photoinduced electric field

Liquid crystal displays (LCDs) employ thin pixels of a paraelectric nematic, confined between two glass plates with transparent indium tin oxide (ITO) electrodes. A voltage applied to the electrodes realigns the molecules, changing the optical appearance of the pixel. Here we demonstrate that a similar molecular realignment can be triggered by low-power light irradiation when the paraelectric nematic in the cell with ITO electrodes is replaced with a ferroelectric nematic (NF). Irradiation creates an intrinsic electric field that is strong enough to realign the NF but too weak to affect the paraelectric nematic. The extraordinary sensitivity of the ITO/NF pair to light irradiation creates a platform for optical control of ferroelectric polarization and applications in photonics, sensing, smart windows, and beyond.
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All authors Sathyanarayana Paladugu, Oleksandr Kurochkin, Ruslan Kravchuk, Mykola Kravets, Volodymyr Sashuk, Bijaya Basnet Vassili G. Nazarenko, Sergij V. Shiyanovskii, Oleg D. Lavrentovich

Thursday 24 September

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

Reaction mechanisms of sodium carbonate activation in ultra-high-volume slag-cement blends

Ultra-high-volume slag-cement (UHVS) blends can substantially reduce clinker ratio, but slow slag reaction limits strength development; Na2CO3 is a less caustic and lower-carbon activator for alkali-activated materials, yet its moderate alkalinity can similarly delay strength development. Here, dry-blended Na2CO3 (0-20 wt.% relative to water) was incorporated into a one-part binder with 90 wt.% ground-granulated blast-furnace slag and 10 wt.% Portland cement (PC) to determine whether this integration could mitigate slow strength development in both systems. Compressive strength testing, isothermal calorimetry, time-resolved quantitative X-ray diffraction, Fourier-transform infrared spectroscopy, aqueous solution analysis, and thermodynamic modeling were combined to determine how Na2CO3 controls phase assemblage, alkalinity, calculated porosity and strength development. At 5-10 wt.% Na2CO3, calcite-dominated carbonate reactions promoted a rapid alkalinity increase and accelerated early-age reaction and strength development; however, subsequent alkalinity decline limited later-age slag reaction and gel formation. In contrast, 20 wt.% Na2CO3 favored substantial early formation of gaylussite and carbonate-AFm phases, which moderated the initial pH rise and delayed early gel accumulation. The larger alkali inventory and evolving phase-solution partitioning helped sustain alkalinity at later ages, enabling continued slag dissolution and gel formation. This pathway produced higher reaction extent and lower calculated porosities, with compressive strength approaching that of neat PC. Screening-level cradle-to-gate life-cycle assessment indicates a 66-72% reduction in global warming potential relative to PC, depending on Na2CO3 production pathways. These results identify carbonate-mediated control of alkalinity persistence as key to sustaining slag reaction in UHVS systems.
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Mesoscale and Nanoscale Physics

Tunable flat bands and their signatures in electronic specific heat of an Aharonov-Bohm triangular quantum network

Quantum networks composed of loop-like structures provide a rich platform for exploring electronic transport phenomena and have been widely studied in various contexts. However, their thermal response remains relatively unexplored, motivating us to investigate it in the present work. We consider a tight-binding (TB) quantum network composed of a finite number of triangular plaquettes, where neighboring plaquettes are connected through single bonds and each triangular loop is threaded by an Aharonov-Bohm (AB) flux $\phi$. The interplay of nonuniform site coordination, hopping asymmetry, and quantum interference gives rise to both dispersive and completely flat energy levels. We derive an analytical condition involving the TB parameters under which one of the energy branches becomes independent of the electronic momentum. We further show that the AB flux $\phi$ provides a direct means of tuning the position of the flat band. The characteristic features of the energy spectrum associated with this quantum geometry are reflected in the thermal response, which we investigate through the electronic specific heat (ESH). In particular, we demonstrate that the position of the flat band manifests itself as a distinct feature in the ESH, establishing a direct connection between the flat-band formation and the thermal response of the system. Thus, the ESH provides an alternative route for identifying the presence of a flat band, consistent with the analytical condition and the corresponding energy dispersion. Moreover, the AB flux allows the ESH to be selectively regulated through the tuning of the flat-band position. The proposed approach provides a simple complementary means of identifying momentum-independent energy levels and may be extended to other simple and complex quantum networks supporting flat bands.
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Statistical Mechanics

Memory-induced optimal switching in a dynamic Ising-Kuramoto model

We study a globally coupled stochastic system in which each unit carries an Ising spin and a continuous phase. The spins undergo Glauber switching with relaxation rate $\gamma$, while the phases are driven by Ornstein-Uhlenbeck noise with correlation time $\tau$. A spin-dependent phase interaction supports a composite coherent mode, $Z_m=N^{-1}\sum_j\sigma_j e^{i\theta_j}$, that can order even when the ordinary phase coherence is small. Linear response about the nonmagnetic incoherent state gives the synchronization threshold $K_{\mathrm c}=[(\mu+\beta_s\gamma)\chi_\gamma]^{-1}$, where $\chi_\gamma$ is a memory-weighted Laplace transform of the free phase correlation function. The competition between the increasing Glauber response and the decreasing memory susceptibility produces a finite switching rate at which $K_{\mathrm c}$ is minimized. We derive a general sufficient condition for such an interior optimum and show that finite-time Ornstein-Uhlenbeck correlations satisfy the required fast-switching asymptotics, whereas the white-noise limit need not. Finite-size simulations reproduce the nonmonotonic threshold, its shift toward slower switching as $\tau$ increases, antiphase composite order in a nonmagnetic state, and mode mixing on a magnetized background.
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Statistical Mechanics · Cross-listed from quant-ph

A Novel $q$-Derivative Framework with Applications to $q$-Deformed Thermodynamics and Leakage Suppression in Superconducting Qubits

We propose a new $q$-derivative operator built directly from Jackson's $q$-number formulation, designed to preserve the structural properties of standard differential calculus while incorporating deformation effects. By analyzing $q$-deformed Heisenberg algebras, we demonstrate that this formulation maintains the consistency of thermodynamic quantities-such as internal energy, particle number, and specific heat-in dilute gas limits without requiring ad-hoc chain-rule modifications. Furthermore, we explore the physical implications of algebraic deformation using the Biedenharn-Macfarlane realization, showing how $q$-deformation induces intrinsic anharmonicity in quantum oscillator spectra and affects multi-level quantum systems ($d \ge 3$). Applying this algebraic scheme to superconducting transmon qubits, we derive analytical pulse-shaping corrections that generalize the Derivative Removal by Adiabatic Gate (DRAG) technique, offering a robust method to suppress computational leakage in ultra-fast quantum logic operations.
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Materials Science

Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat26

Foundation machine learning interatomic potentials (MLIPs) promise near-density functional theory (DFT) accuracy across broad areas of chemistry and materials science. However, their performance in describing systems and processes relevant to heterogeneous catalysis remains underexplored. Here, we introduce HetCat26, a collection of benchmark tests designed to assess pre-trained MLIPs across key aspects of catalytic modeling, including surface energetics, metal-metal oxide interactions, adsorption, and catalytic reaction networks. Evaluating fifteen foundation models, we find that performance on existing general materials benchmarks is only weakly predictive of performance on HetCat26; transferability to heterogeneous catalysis cannot be inferred from these general benchmarks. Across the benchmark tests, current models describe surface energetics and, perhaps surprisingly, reaction barriers well, whereas larger errors are observed for adsorption, and DFT site preferences are often not reproduced. Two models, eSEN-30M-OAM and MACE-MH-1-OMAT, nevertheless achieve high accuracy across the properties evaluated. Beyond model benchmarking, HetCat26 highlights the importance of training data consistency: PBE and PBE+U calculations should not be mixed within a training set. Overall, we identify challenges limiting the transferability of current foundation MLIPs to heterogeneous catalysis and, more broadly, to chemical reactions at interfaces, providing guidance for the development of the next generation of foundation models.
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All authors Alexandre Peuch, Giaan Kler-Young, Kaifeng Niu, Jinwoo Hwang, Manos Mavrikakis, Angelos Michaelides, Fabian Berger

Statistical Mechanics

Emergent Wigner magnon crystals in a fully frustrated Heisenberg four-leg tube

The ground state, magnetization curves, low-temperature thermodynamics, and heat-engine performance of the fully frustrated spin-$1/2$ Heisenberg four-leg tube with antiferromagnetic inter- and intra-plaquette coupling constants J1 and J2 are examined using exact diagonalization, density matrix renormalization group, and localized-magnon theory. In the unfrustrated to weakly frustrated regime J2/J1 << 2, the system exhibits a continuous field-driven quantum phase transition between the gapped Haldane phase and a gapless Tomonaga-Luttinger quantum spin liquid. In the highly frustrated regime J2/J1 > 2, the system contrarily displays discontinuous field-driven quantum phase transitions between the Wigner magnon crystals, which are manifested in zero-temperature magnetization curves as intermediate plateaus at zero, one-quarter, one-half, and three-quarters of the saturation magnetization. The low-temperature magnetic and thermodynamic properties in this regime are accurately captured by an effective interacting lattice-gas model of two monomer quasi-particle species constructed from localized one- and two-magnon states. Finally, we explore a quantum Stirling heat engine using the fully frustrated four-leg tube as the working medium. The work output and efficiency are strongly suppressed near discontinuous field-induced transitions and reach pronounced local maxima well inside the stability regions of the Wigner magnon crystals.
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Materials Science

Dual Topological Channels in a Programmable Mechanical Metamaterial

Topological mechanical metamaterials generally derive their robustness from one of two distinct mechanisms: kinematic topology, which localizes zero-frequency floppy modes through geometric compatibility, or band topology, which localizes finite-frequency waves through topological bandgaps. Because these mechanisms arise from fundamentally different physical principles, mechanical systems are typically engineered to exploit either static or dynamic topological functionality, but not both simultaneously. Here we demonstrate that a single mechanical metamaterial can host two independent topological channels governing static and dynamic response within the same architecture. Using a generalized rotor-chain lattice with two coupled rotational degrees of freedom per unit cell, we realize the coexistence of a topological polarization mode and a finite-frequency topological band mode. We show that the two channels are governed by distinct invariants and can be programmed independently through geometry, angular asymmetry, and stiffness dimerization. Remarkably, despite being governed by distinct topological invariants and controlling different physical responses, the two channels undergo topological transitions at a common symmetry-controlled critical geometry. Experimental measurements using scanning laser Doppler vibrometry confirm simultaneous localization of a boundary floppy mode and a finite-frequency domain-wall state in the same structure. These results establish dual topological channels as a general design principle for multifunctional mechanical metamaterials and demonstrate how static deformation and dynamic wave transport can be programmed independently within a single architecture.
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