Superconductivity
Signature of Unconventional Superconductivity in the High Temperature Normal State Resistivity
Yuchen Wu, Yiwen Liu, Wanyue Lin et al. (+2 more)
Unconventional superconductivity remains one of the central unsolved problems in
quantum materials, and revealing its connection to the normal state is widely believed to be key to uncovering the pairing mechanism. Previous efforts have largely focused on the temperature range immediately above the superconducting transition, where specific scattering channels-such as strange-metal transport-have been identified as sharing a possible microscopic origin with superconductivity. Here, using machine learning, we demonstrate a strong correlation between normal-state resistivity and superconductivity in Fe-based
superconductors. Remarkably, the predictive information reside in a wide window of 150-300 K, far above $T_c$ of this family. We further show that the signatures of superconductivity are distributed across multiple scattering channels, which requires further theoretical investigation.
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All authors Yuchen Wu, Yiwen Liu, Wanyue Lin, Zohar Nussinov, Sheng Ran
Disordered Systems and Neural Networks · Cross-listed from cs.LG
Dimensional Criticality at Grokking Across MLPs and Transformers
Ping Wang
Abrupt transitions between distinct dynamical regimes are a hallmark of complex systems. Grokking in deep neural networks provides a striking example – an abrupt transition from memorization to generalization long after training accuracy saturates – yet robust macroscopic signatures of this transition remain elusive. Here we introduce TDU–OFC (Thresholded
Diffusion Update–Olami-Feder-Christensen), an offline avalanche probe that converts gradient snapshots into cascade statistics and extracts a macroscopic observable – the time-resolved effective cascade dimension $D(t)$ – via grokking-aligned finite-size scaling. Across
Transformers trained on modular addition and MLPs trained on XOR, we discover a localized dynamical crossing of the Gaussian
diffusion baseline $D=1$ precisely at the generalization transition. The crossing direction is task-dependent: modular addition descends through $D=1$ (approaching from $D>1$), while XOR ascends (from $D<1$). This opposite-direction convergence is consistent with attraction toward a candidate shared critical
manifold, rather than trivial residence near $D \approx 1$. Negative controls confirm this picture: ungrokked runs remain supercritical ($D>1$) and never enter the post-transition regime. In addition, avalanche distributions exhibit heavy tails and finite-size scaling consistent with the dimensional exponent extracted from $D(t)$. Shadow-probe controls ($\alpha_{\mathrm{train}}=0$) confirm that $D(t)$ is non-invasive, and grokked trajectories diverge from ungrokked ones in $D(t)$ some $100$–$200$ epochs before the behavioral transition.
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Quantum Gases · Cross-listed from nucl-th
Relativistic Barnett effect and Curie law in a rigidly rotating free Fermi gas
M. Abedlou Ahadi and N. Sadooghi
By combining methods from thermal field theory and statistical mechanics, we reexamine the
spin polarization caused by the relativistic Barnett effect in a rigidly rotating
Fermi gas. We determine the pressure of this medium and show that it depends on an effective chemical potential, which includes contributions from orbital angular momentum-rotation and
spin-rotation coupling. We introduce a specific regularization scheme to sum over the angular momentum
quantum numbers. As a result, the thermal pressure and all thermodynamic quantities are separated into two parts that differ only in the
spin fugacities of
spin-up and
spin-down
fermions. We calculate the
Fermi energy for both components and show that the
Fermi energy of the
spin-down
fermions is lower than that of the
spin-up ones. This difference arises from the
spin-rotation coupling and leads to a
spin polarization consistent with the Barnett effect. In particular, we introduce the
spin-chemicorotational ratio $\eta\equiv \Omega^{(0)}/2\mu^{(0)}$, which adjusts the
spin polarization of the
Fermi gas. Here, $\Omega^{(0)}$ and $\mu^{(0)}$ represent the angular velocity and chemical potential at zero temperature, respectively. The factor $1/2$ accounts for the
fermion's
spin. We explore the temperature dependence of $\mu$ and $\Omega$, while assuming that the number of
spin-up and
spin-down
fermions remains temperature independent. Our findings indicate that the
spin-down component of the rotating
Fermi gas dilutes at lower temperatures compared to the
spin-up component. Additionally, we calculate the
magnetic susceptibility arising from the Barnett magnetization and demonstrate that it is proportional to the moment of inertia $I$ of the rotating
Fermi gas. Finally, we prove that $I$ exhibits a $1/T$ behavior in the high-temperature limit, similar to the Curie law of paramagnetism.
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Materials Science
Stability and superstructural ordering of alkali-triel-pnictide clathrates A$_8$T$_{27}$Pn$_{19}$
Frank Cerasoli, Xiaochen Jin, Genevieve Amobi et al. (+2 more)
Clathrates are a class of inclusion compounds that offer various useful and surprising phenomena, including superconductivity, thermoelectricity, and the potential for high-density ion storage. Stability conditions within the Alkali-Triel-Pnictide A$_8$T$_{27}$Pn$_{19}$ family of unconventional clathrates are investigated with high-throughput density functional theory calculations, establishing trends in formation energy, structural and electronic properties. Electronic structure calculations and first-principles molecular dynamics simulations show that the ionization potential of guest alkaline atoms strongly influences the stability of electron-exact clathrates and affects their rattler behavior. Targeted reactive synthesis from elemental precursors is attempted, resulting in two novel ternary compounds. However, the targeted clathrate phases are not obtained. Further analysis reveals that the stability of ATPn clathrate compounds containing heavy elements, such as bismuth, depends strongly on
spin-orbit effects, which are often neglected in high-throughput studies that compute formation energies. Finally, chemically induced superstructural ordering is described in relation to Wyckoff sites in the prototypical type-I clathrate unit
cell.
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All authors Frank Cerasoli, Xiaochen Jin, Genevieve Amobi, Kirill Kovnir, Davide Donadio
Soft Condensed Matter · Cross-listed from cs.RO
ZipFold: Modular Actuators for Scaleable Adaptive Robots
Niklas Hagemann and Daniela Rus
There is a growing need for
robots that can change their shape, size and mechanical properties to adapt to evolving tasks and environments. However, current shape-changing systems generally utilize bespoke, system-specific mechanisms that can be difficult to scale, reconfigure or translate from one application to another. This paper introduces a compact, easy-to-fabricate deployable actuator that achieves reversible scale and stiffness transformations through compound folding and zipping of flexible 3D-printed plastic strips into square-section deployable beams. The simple actuation method allows for smooth, continuous transitions between compact (flexible) and expanded (quasi-rigid) states, facilitating diverse shape and stiffness transformations when modules are combined into larger assemblies. The actuator's mechanical performance is characterized and an integrated system involving a four-module adaptive walking
robot is demonstrated.
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Statistical Mechanics
Nematic Phase Transitions in 1D Flat Band Condensates
Yeongjun Kim, Oleg I. Utesov, Alexei Andreanov et al. (+2 more)
We investigate the ground-state properties of one-dimensional Gross-Pitaevskii flat-band
lattices which are parametrized through their compact localized state (CLS) amplitudes. We uncover a CLS geometry-driven phase transition into a macroscopically degenerate nematic state with broken time-reversal
symmetry. The transition is marked by the appearance of constant-density flat-band states and a vanishing sound velocity. We demonstrate that even infinitesimal onsite interactions can destabilize a $k=0$ plane wave condensate, driving the system into a nematic
manifold, which persists for any interaction strength. For the particular choice of constant density CLSs which can tile the
lattice, we identify additional families of continuously degenerate ground states characterized by vanishing phase stiffness. Utilizing Bogoliubov-de Gennes excitations and parallel tempering, we show that these tiling phases are thermally selected at low temperatures via an order-by-disorder mechanism. We exemplify our findings for different classes of flat bands. Our findings also reveal that the sound velocity in flat-band condensates is a sensitive probe of the underlying nematic phase transitions.
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All authors Yeongjun Kim, Oleg I. Utesov, Alexei Andreanov, Mikhail V. Fistul, Sergej Flach
Statistical Mechanics
Lattice Field Theory for a network of real neurons
Simone Franchini and Giampiero Bardella
In a recent paper [Bardella et al.,
Entropy 26 (6), 495 (2024)] we introduced a simplified
Lattice Field Theory (LFT) framework that allows experimental recordings from major
Brain-Computer Interfaces (BCIs) to be interpreted in a simple and physically grounded way. From a neuroscience point of view, our method modifies the Maximum
Entropy model for neural networks so that also the time
evolution of the system is taken into account and it can be interpreted as another version of the Free Energy principle (FEP). This framework is naturally tailored to interpret recordings from chronic multi-site BCIs, especially spike rasters from measurements of single
neuron activity.
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Soft Condensed Matter
Ion-Containing Bottlebrush Elastomers as Pressure-Sensitive Electroadhesives
Hao Dong, Intanon Lapkriengkri, Nadia Chapple et al. (+7 more)
This study presents a materials-design framework for low-voltage pressure-sensitive electroadhesives based on ion-containing bottlebrush
polymers that combine the on-demand reversibility of traditional electroadhesives with the tunable conformability typical of pressure-sensitive adhesives (PSAs). Two complementary bottlebrush
polymers bearing pendant flexible side chains and independently tunable anionic or cationic groups were designed to form soft and tough elastomers after crosslinking. When the two oppositely charged bottlebrush networks were brought into contact, a smooth, continuous interface formed, which is locally charge neutral due to the presence of mobile counterions. At low voltages (less than 2 V), mobile ions migrate toward the electrodes, creating an interfacial heterojunction and significant electrostatic attraction that enhances adhesion, yielding an on/off ratio of up to more than 4.5. The low-voltage operation and PSA-like mechanics of bottlebrush electroadhesives, even at charge density as low as 18 C/g, create opportunities in applications such as soft
robots, haptic devices, and biomedical devices.
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All authors Hao Dong, Intanon Lapkriengkri, Nadia Chapple, Hyunki Yeo, Alexandra Zele, Hiba Wakidi, Thuc-Quyen Nguyen, Michael L. Chabinyc, Christopher M. Bates, Megan T. Valentine
Mesoscale and Nanoscale Physics
Edge universality in Floquet sideband spectra
Miguel Tierz
A monochromatic voltage drive redistributes noninteracting
fermions over sidebands with Bessel amplitudes. A sharp
Fermi step gives the discrete Bessel source kernel, whose large amplitude edge has the Airy limit known from random
matrices and propagating fronts. At zero temperature and for energy independent transmission, the deficit of the dc bias derivative of low frequency partition noise from its large bias slope is proportional to the kernel diagonal, with ac amplitude fixed. Shifting the integer threshold coordinate down by half a sideband removes the leading finite amplitude correction. For reservoirs at a common temperature, we derive the rescaled deficit's crossover through one thermal convolution per reservoir. Its leading low temperature correction is twice that of the rescaled source occupation. We specify the geometry and mode resolution needed to distinguish this signature from the full Airy point process.
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Materials Science · Cross-listed from physics.chem-ph
Information Entropy is a General-Purpose Collective Variable for Enhanced Sampling
Xiangrui Li and Daniel Schwalbe-Koda
Enhanced sampling methods typically require predefined collective variables (CVs) that presuppose knowledge of reaction coordinates, restricting the discovery of unanticipated transition mechanisms or intermediates. Here, we show that a local measure of information
entropy in atomistic systems is a general-purpose CV for rare event sampling across molecular and condensed-phase systems. The method biases simulations toward
entropy-changing configurations following a well-tempered metadynamics approach, thus balancing novelty and thermodynamic accessibility. Blind exploration of potential energy surfaces enables unsupervised discovery of metastable basins and reaction pathways, including competing transition channels inaccessible to conventional order parameters. We demonstrate the generality of the method across five systems spanning conformational sampling, homogeneous nucleation, glass formation, and solid-state phase transformations.
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Materials Science · Cross-listed from physics.optics
Deep-Subwavelength and Broadband Quarter-Wave Retardation in Ultrathin Hyperbolic MoOCl2
Georgy Ermolaev, Adilet Toksumakov, Valeria Maslova et al. (+10 more)
The miniaturization of polarization-controlling optical components is one of the central pursuits in nanophotonics. While traditional anisotropic materials require large propagation lengths to achieve the desired phase shifts, metasurfaces mitigate this size constraint but often introduce narrow operational bandwidths and high fabrication complexities. To bridge this gap, we introduce MoOCl2 as a promising material for ultracompact and broadband phase retardation. Building on its
giant optical anisotropy, we experimentally demonstrate MoOCl2 quarter-wave plates with thicknesses of 77 nm and 98 nm. These flakes exhibit achromatic quarter-wave retardation across broad visible (445 - 525 nm) and near-infrared (730 - 945 nm) spectral windows, surpassing the fundamental thickness and bandwidth limitations of both conventional optical materials and artificial nanostructures. Moreover, MoOCl2 waveplates demonstrate up to lambda/4500 retardance tolerance at central wavelengths. As a result, this study establishes MoOCl2 as a building block for ultracompact polarization optics.
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All authors Georgy Ermolaev, Adilet Toksumakov, Valeria Maslova, Aleksandr Slavich, Anton Minnekhanov, Gleb Tselikov, Nikolay Pak, Andrey Vyshnevyy, Aljoscha Söll, Zdeněk Sofer, Aleksey Arsenin, Kostya S. Novoselov, Valentyn Volkov
Soft Condensed Matter
A Modular 3D-Printed Design to Investigate Prebiotic Chemical Systems in Hot Spring Pools
Arslan Siddique, Dev Chauhan, Alethea Dutton et al. (+6 more)
The emergence of membranous compartments (protocells) with encapsulated genetic material was a crucial step life's origin and
evolution. The hot spring hypothesis for the origin of life suggests that protocells could have formed in hot spring pools and encapsulated organic matter. Previous investigations have focused on mimicking wet-dry (WD) cycles within a single pool, which precludes simulation of many hydrothermal field conditions, such as differential mineralogy, variable temperature and pH and water flow between multiple hot spring pools. Here, we present a modular 3D-printed hydrothermal field simulator that mimics the complex nature of hot spring fields by controlling the variability of a series of linked pools, including WD cycles, temperature, pH, mineralogy, and mixing of different fluids. Results from using the prototype hot spring field design demonstrate the ability to spontaneously form lipid vesicles that encapsulate organic matter within membranous compartments comprised of decanoic acid:decanol (4:1) or the phospholipids POPC:POPG (1:1). We observed distinct morphological differences in the vesicles, ranging from thick-walled multilamellar, thin-walled oligolamellar and unilamellar as well as
giant unilamellar vesicles formed under multiple WD cycles in the simulator pools. Cargo encapsulation was favoured in the
cell-like
giant unilamellar and small oligolamellar vesicles. Overall, hot-spring simulator offers a customisable avenue for studying other hot spring processes such as prebiotic chemical reactions, mineral surface catalysis, and the complexity of hydrothermal field dynamics.
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All authors Arslan Siddique, Dev Chauhan, Alethea Dutton, Kavish Reddy, Soumya Kanti De, Albert C. Fahrenbach, Tracie Barber, Martin Van Kranendonk, Anna Wang
Mesoscale and Nanoscale Physics
Valley polarization of chiral excitonic bound states induced by band geometry
Archisman Panigrahi and Daniel Kaplan
Van der Waals (vdW) materials provide a rich platform for exploring the interplay of interactions,
topology, and paired-electron phases. We study how the Berry phase reshapes excitonic pairing in a double-well dispersion representative of layered vdW systems. By computing the temperature-versus-Berry flux phase diagram of the system, we find parameter ranges where finite angular momentum
excitons are favored, including
chiral states. Strikingly, the condensed angular momentum channel evolves with Berry flux, revealing a pairing problem with no analogue in a hydrogen atom in a uniform
magnetic field, where angular momentum states never cross. We then turn to a model of multilayer rhombohedral
graphene and examine the effects of trigonal warping. Once continuous rotational
symmetry is broken,
excitons mix multiple angular momenta, and for a range of parameters we find a variety of linear combination of angular momenta ($s, p, f$ and $g$) in the ground state. Our results point to the possibility of
chiral excitonic condensates, and spontaneous
symmetry breaking through many-body condensation.
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Materials Science
Many-body description of two-dimensional van der Waals ferroelectric $\alpha-$In$_2$Se$_3$
Denzel Ayala, Dimitar Pashov, Tong Zhou et al. (+3 more)
Two-dimensional (2D) van der Waals ferroelectrics are recognized for enabling many applications, from
memory and logic to neuromorphic computing, as well as transforming other materials to control electronic phase transitions and topological states. While these materials are typically weakly correlated and expected to have their ground-state properties well described with the commonly used density functional theory, by focusing on
bilayers and trilayers of In$_2$Se$_3$ we show that this approach may not be reliable. The underlying electronic structure strongly depends on the polarization structure of the multilayer system and is surprisingly challenging to accurately calculate, requiring a high-fidelity many-body theory of the quasiparticle self-consistent GW approximation. We develop this underlying description by extending the capabilities of Green function implementation within the open-source Questaal package. We show that even a sophisticated hybrid functional approach may fail to predict a nonvanishing gap in a
bilayer In$_2$Se$_3$ and yields charge density, polarization, and band offsets that strongly deviate from the many-body picture. We discuss the implications of these computational advances for future opportunities in 2D ferroelectrics.
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All authors Denzel Ayala, Dimitar Pashov, Tong Zhou, Kirill Belashchenko, Mark van Schilfgaarde, Igor Žutić
Statistical Mechanics · Cross-listed from quant-ph
Quantum Hilbert Space Fragmentation and Entangled Frozen States
Zihan Zhou, Tian-Hua Yang and Bo-Ting Chen
We find that rank deficiency of the local
Hamiltonian in a classically fragmented model is the key mechanism leading to
quantum Hilbert space fragmentation. The rank deficiency produces local null directions that can generate entangled frozen states (EFS): entangled states embedded in mobile classical Krylov sectors that do not evolve under
Hamiltonian dynamics. When the entangled frozen subspace is non-empty, the mobile classical sector splits into a mobile
quantum Krylov subspace and an entangled frozen subspace, and the model exhibits
quantum fragmentation. We establish this mechanism in four models of increasing
symmetry structure: an asymmetric
qubit projector with no
symmetry, the $\mathbb{Z}_2$-symmetric GHZ projector, a $\mathbb{Z}_3$-symmetric cyclic qutrit projector, and the Temperley-Lieb model. For the asymmetric and GHZ projector models, we obtain closed-form expressions for irreducible Krylov dimensions, degeneracies, and sector multiplicities. The all-mobile-sector EFS in these two models exhibits a sub-volume-law bipartite
entanglement entropy scaling as $S \sim \sqrt{L}$. Further, we introduce the notion of weak and strong
quantum fragmentation, the
quantum counterpart of the weak-strong distinction in classical fragmentation. After removing the EFS, the mobile
quantum Krylov subspace decomposes into irreducible blocks. In the weak case, the number of irreducible blocks remains $O(1)$, each is individually ergodic with Gaussian Orthogonal Ensemble (GOE) level statistics, and the unresolved spectrum follows an $m$GOE distribution. In the strong case, the number of irreducible blocks grows with system size, and the gap-ratio distribution approaches Poisson as $L\to\infty$.
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Quantum Gases
Approximate vortex lattices of atomic Fermi superfluid on a spherical surface
Keshab Sony, Yan He and Chih-Chun Chien
While planar
Fermi superfluids form Abrikosov
vortex lattices under
magnetic or effective gauge fields, spherical geometry forbids perfect
lattices above 20
vortices. We characterize approximate
vortex structures of atomic
Fermi superfluids under an effective monopole field on a spherical surface as an analogue of the planar
vortex-
lattice problem by two constructions based on the Ginzburg-Landau theory. The first one is
geometric and uses the random, geodesic-dome, and Fibonacci
lattices as scaffolds to construct the order parameter from the degenerate monopole harmonics. The second one minimizes the free energy by numerically adjusting the coefficients to find the solution with the minimal Abrikosov parameter. We have verified the
vortices from both constructions are zeros of the order parameter with circulating currents around the
vortex cores. As the number of
vortices increases, the Abrikosov parameters of both the Fibonacci-
lattice and minimization solutions extrapolate to the planar value. We briefly discuss implications for ultracold atoms in thin spherical-shell geometry.
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Mesoscale and Nanoscale Physics · Cross-listed from physics.optics
Enhanced enantiomer discrimination with chiral surface plasmons
Sang Hyun Park, Phaedon Avouris, Jennifer A. Dionne et al. (+2 more)
Strong light-matter coupling in
chiral cavities has been proposed as an effective way to selectively interact with an enantiomer that shares the same handedness as the cavity's
chiral mode. We show that surface plasmons supported by a two-dimensional interface with both electric and
chiral conductivities discriminate enantiomers more efficiently than
chiral optical cavities. A
quantum-electrodynamic treatment is developed to incorporate the molecule's electric and
magnetic dipole moments. We show that the discrimination factor for a
chiral plasmon can exceed that of the best
chiral-mirror cavity by almost an order of magnitude due to stronger field confinement. In addition, surface plasmons couple to a dipole's projection onto an entire plane, whereas cavity (or free-space) modes couple only to a single polarization axis. This
geometric difference produces a $\sqrt{2}$ orientation-averaged boost in
chiral discrimination for
chiral surface platforms. A handedness-preserving reflector further amplifies the enhancement, opening a practical route towards
chiral sensing using twisted-layer platforms.
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All authors Sang Hyun Park, Phaedon Avouris, Jennifer A. Dionne, Joshua D. Caldwell, Tony Low
Strongly Correlated Electrons
Decoding Equilibrium and Dynamical Criticality in the 2D Topological Order
Xiao-Ming Zhao, Cui-Xian Guo, Gaoyong Sun et al. (+1 more)
Analytically connecting
equilibrium criticality and dynamical
quantum phase transitions (DQPTs) under complex driving fields remains a significant challenge, primarily due to the combinatorial complexity of non-local long-range
entanglement. Here, we decode this connection in the 2D strongly interacting Wen-plaquette model. By mapping its anyonic excitations to 1D effective dissipative channels, we reveal that microscopic single-particle fidelity zeros exactly reconstruct the macroscopic
equilibrium topological phase boundaries. Beyond
equilibrium, we demonstrate that during non-
unitary quench dynamics, these very same static singularities enforce a momentumspace exclusion against dynamical Fisher zeros. Furthermore, a newly identified dissipation-phase racing mechanism prematurely depletes the decaying mode, suppressing DQPTs and generating topologically trivial steady states. Our results establish exact microscopic static singularities as an analytical decoder for macroscopic non-
unitary topological dynamics involving discrete
symmetry breaking.
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All authors Xiao-Ming Zhao, Cui-Xian Guo, Gaoyong Sun, Su-Peng Kou
Materials Science
Understanding insulating ferromagnetism in LaCoO3 films under tensile strain
Ali Barooni, Murod Mirzhalilov, Mohit Randeria et al. (+2 more)
LaCoO3 thin films grown under epitaxial tensile strain exhibit a robust
ferromagnetic insulating state that is absent in the bulk. Despite many studies, both experimental and computational, the microscopic origin of this phenomenon is not well understood. In this work, density functional theory calculations are used to systematically investigate the
magnetic ground state of stoichiometric LaCoO3 under epitaxial strain equivalent to that imposed by a SrTiO3 substrate. The results identify a
ferromagnetic insulating ground state characterized by a unique ordered array of high-
spin (HS) and low-
spin (LS) Co3+ ions. The
spin state ordering is best described as 2 x 2 columns that consist of alternating HS and LS Co3+ ions, separated by planes of LS Co3+ ions. This leads to HS-LS-LS repeating sequence of Co3+ ions in both pseudocubic [100] and [010] directions. Analysis of the electronic structure confirms the presence of an insulating gap. Evaluation of the superexchange interactions reveal
ferromagnetic interactions between HS Co3+ ions via 90 degree paths, and
antiferromagnetic interactions via 180 degree paths, both of which are facilitated by empty sigma* (eg) orbitals on the diamagnetic LS Co3+ ions. The strength and number of 90 degree
ferromagnetic interactions are sufficient to overcome the competing 180 degree
antiferromagnetic interactions stabilizing a
ferromagnetic insulating state.
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All authors Ali Barooni, Murod Mirzhalilov, Mohit Randeria, Patrick M. Woodward, Maryam Ghazisaeidi
Materials Science
Zr Concentration-Dependent Sub-Lattice Phase-Field Model of Hf1-xZrxO2: Analysis of Phase Composition and Polarization Switching
Tae Ryong Kim and Sumeet K. Gupta
We develop a sub-
lattice phase-field model of Hf1-xZrxO2 incorporating zirconium (Zr) concentration (x)-dependence. Our framework expands the time-dependent Ginzburg-Landau (TDGL) equation to the sub-
lattice level and incorporates x-dependent interaction parameters and gradient coefficients. Our experimentally calibrated model captures the
evolution of charge-voltage (Q-V) characteristics for x ranging from 0.5 to 1.0. The sub-
lattice formulation explains the thermodynamic preference and kinetic transition barriers of competing orthorhombic phase (o-phase) and tetragonal phase (t-phase), while the phase-field framework enables spatially resolved analysis of polarization (P) and electric-field (E-field) profiles, allowing multi-domain (MD) polarization and mixed-phase states to emerge naturally. Our model reproduces the experimentally observed ferroelectric (FE)-to-anti-ferroelectric (AFE) transition as x increases from 0.5 to 1.0. At low Zr concentration (x = 0.5-0.6), the o-phase dominates, yielding distinct FE behavior. At high concentration (x = 0.9-1.0), the t-phase is stabilized, leading to AFE transitions. A key finding of our work is the unique behavior at intermediate Zr concentrations (x = 0.7-0.8). Here, the o- and t-phase energies are comparable, making the system strongly influenced by local variations in the electric field (E-field), which arise from stray fields near the domain walls. This non-uniform field distribution results in a mixed-phase composition and spatially staggered polarization reversal, which manifests as a more gradual Q-V
evolution compared to other values of x. By linking energy landscapes to spatial field effects, the model provides insights into the FE-to-AFE crossover in Hf1-xZrxO2.
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Mesoscale and Nanoscale Physics
Controlled topological dilution drives cooperative glassy dynamics in artificial spin ice
Davis Crater, Ryan Mueller, Sanjib Thapa et al. (+4 more)
It has long been known that disorder, perturbing the energy landscape of
magnetic systems, can introduce glassy dynamics. However, the controlled role of increasing disorder in driving glass formation remains difficult to isolate in naturally occurring materials. Artificial
spin ice offers a unique model platform in which geometry, interactions, and disorder can be engineered at the nanoscale. Here, we investigate the impact of controlled disorder introduced through random decimation in artificial square
spin ice. By systematically removing nanomagnets from random sites, we modify the vertex
topology and progressively increase frustration in the
spin network. Synchrotron-based photoemission electron microscopy reveals that decimation enhances the population of higher energy vertices and increases the configurational
entropy of the system. Time-resolved temperature-dependent imaging further shows the emergence of slow cooperative dynamics at higher decimation, characterized by aging, a finite Edwards–Anderson order parameter, and enhanced dynamical heterogeneity quantified by the four-point susceptibility. The relaxation dynamics transition from thermally activated behavior at low decimation to Vogel–Fulcher–type freezing at higher decimation. These results demonstrate that random decimation drives artificial
spin ice from long-range order to a glass-like
magnetic state, establishing artificial
spin systems as a tunable platform for studying glassy dynamics in frustrated matter.
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All authors Davis Crater, Ryan Mueller, Sanjib Thapa, Kevin Hofhuis, Armin Kleibert, Francesco Caravelli, Alan Farhan
Soft Condensed Matter
Stress network dynamics influence on large particle segregation
Alexander J. Navarrete, Leonardo Gordillo and Tomás Trewhela
A plethora of natural and industrial shear-driven granular flows exhibit particle-size segregation. Its occurrence is commonly attributed to two primary mechanisms: kinetic sieving and squeeze expulsion. While kinetic sieving is relatively well understood, squeeze expulsion lacks a clear mechanical explanation and direct experimental evidence due to difficulties in measuring stresses in granular media. Here, we investigate force networks around a large intruder in a bidimensional granular shear
cell. We use transparent, birefringent disks to visualize stress chains via photoelasticity. Experiments were conducted with two different granular media to study force chains over size ratios between the intruder and surrounding particles of 1.25 to 4.0. Particle Tracking Velocimetry and G-square analysis are used to quantify particle trajectories and identify active grains. These methods enable us to measure force-chain lengths and structures around the intruder through the gap factor. Our results confirm that squeeze-expulsion strongly depends on stress transmission. Larger size ratios lead to longer force chains and greater particle participation in the global stress network. In parallel, stress fluctuations predominate in driving or restraining intruder motion by forming anisotropic force chains. These findings advance the understanding of granular segregation by clarifying the link between force-network dynamics and segregation mechanics.
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Materials Science · Cross-listed from physics.app-ph
Temperature Dependent Characteristics of Quasi-vertical AlN Schottky Diodes on Bulk AlN Substrate
Md Abdul Hamid, Nabasindhu Das, Advait Gilankar et al. (+3 more)
We report on the fabrication and temperature-dependent characterization of MOCVD-grown quasi-vertical AlN Schottky barrier diodes (SBDs) on bulk AlN substrates. The SBDs exhibited high current densities exceeding 2 kA/cm2 at 10 V, with a turn-on voltage of ~3.0 V (at 1 A/cm^2) and an on/off ratio >10^9 at room temperature. Stable rectifying operation was maintained up to 300 C (the highest measured temperature), with a pronounced increase in current density at elevated temperatures due to thermally activated carrier transport, accompanied by an increase in extracted Schottky barrier height and a reduction in ideality factor. Capacitance voltage measurements showed strong temperature dependence due to the deep donor nature of Si in AlN, resulting in an increase in the net donor concentration (ND-NA) from ~5x10^17 cm-3 at 300 K to ~1x10^18 cm-3 at 373 K. Temperature-dependent reverse-bias characteristics were consistent with Poole-Frenkel emission as the dominant leakage mechanism, with an estimated trap energy of ~0.34 eV. Characterization using transmission electron microscopy and energy-dispersive X-ray spectroscopy revealed a ~5 nm AlNxOy interfacial layer at the metal/
semiconductor junction, which likely influences both forward and reverse transport. These results provide insight into carrier transport, leakage mechanisms, interface chemistry, and high-temperature characteristics, and guidance for the future development of high-performance AlN power devices.
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All authors Md Abdul Hamid, Nabasindhu Das, Advait Gilankar, Brad Lenzen, David J. Smith, Nidhin Kurian Kalarickal
Mesoscale and Nanoscale Physics
Surface effects on the plasmons in two-dimemsional heterostructures: Application to tilted semi-Dirac materials
Teresa Lee, Godfrey Gumbs, Thi Nga Do et al. (+2 more)
We derived closed-form analytic expressions for the plasmon dispersion equations for two and three monolayers embedded in a non-uniform dielectric medium with a surface. There is no electron tunneling between the layers or hybridization of the layer polarizability. The dispersion equations are deduced from calculated expressions for the corresponding surface response functions (SRFs) generated by a frequency-dependent external polarized electromagnetic field. The SRF is calculated by employing Maxwell's equations in conjunction with linear response theory.The dispersion functions reduce to well-known results for two and three monolayers embedded in a bulk medium with a uniform dielectric background. We examine the role played by a surface (i.e., homogeneous versus inhomogeneous dielectric background screening), for gapped tilted semi-Dirac materials (TSDMs) with half-linear, half-
parabolic spectrums whose energy bands are tilted, anisotropic in wave vector space, and a gap is induced. The number of plasmon branches is always equal to the number of monolayer. However, the separation between these branches depends on the distance between the layers and crucially on the chosen dielectric material between the layers and whether there is air or a substrate surrounding the layered structure. For gapped TSDM, the Landau damping, i.e., Plasmon lifetime, varies from branch to branch as well as along the branch for a chosen wave vector direction. We examine these novel behaviors for two and three gapped TSDM monolayers assuming different values for the dielectric background. Our results could be useful for comparing theory with experimental data from electron energy loss spectroscopy (EELS) data.
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All authors Teresa Lee, Godfrey Gumbs, Thi Nga Do, Andrii Iurov, Danhong Huang
Materials Science
Experimental measurements and modeling of characteristic time scales in single iron particle ignition
Liulin Cen, Yong Qian, XiaoCheng Mi et al. (+1 more)
Recyclable metal fuels such as iron are promising carbon-free energy carriers for heat and power. In such systems, particle ignition characteristics strongly affect combustion efficiency and combustor stability, making them critical for burner and reactor design. However, predictive ignition modelling remains limited by the lack of time-resolved data for single-particle solid-phase oxidation and phase transitions. In this work, digital in-line holography combined with ultra-high-speed single-color pyrometry is used to resolve characteristic solid-phase oxidation times of spherical micron-sized iron particles burning in well-defined hot oxidizing environments. Three temperature plateaus are identified, corresponding to FeO melting, the {\gamma}-Fe to {\delta}-Fe transition, and Fe melting, from which pre-melting oxidation times and melting durations are extracted. An ignition model based on solid-phase iron oxidation kinetics following a
parabolic rate law, coupled with external-oxygen-transport-limited description, is used to simulate these characteristic times. The model accurately captures the FeO-scale pre-melting oxidation time, which is nearly independent of oxygen concentration, while the FeO, {\gamma}-Fe to {\delta}-Fe, and Fe melting stages show strong oxygen-concentration dependence consistent with external-oxygen-transport-limited reaction rates. These measurements and simulations provide the first diameter-resolved
dataset for FeO and Fe melting processes and show that this modelling framework can quantitatively predict characteristic times for single iron particles in metal-fuel applications.
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All authors Liulin Cen, Yong Qian, XiaoCheng Mi, Xingcai Lu
Mesoscale and Nanoscale Physics
Predicting spin-orbit coupling in hole spin qubit arrays with vision-transformer-based neural networks on a generalized Hubbard model
Jacob R. Taylor, Katharina Laubscher and Sankar Das Sarma
We introduce a neural-network-based machine learning method to predict the effective
spin-orbit coupling (SOC) strength in hole
quantum dot arrays from standard charge stability diagrams. Specifically, we study a $2\times 2$ Ge hole
quantum dot array described by a generalized
spin-orbit coupled Hubbard model that incorporates random site- and bond-dependent disorder in all system parameters, including onsite potentials, Coulomb interaction strengths, interdot tunneling amplitudes, as well as the direction and angle of the SOC-induced
spin rotations accompanying interdot tunneling. We train the neural network on numerically simulated charge stability diagrams from nearest-neighbor pairs of
quantum dots for different chemical potentials and out-of-plane
magnetic fields, and show that this enables us to predict the SOC-induced
spin-flip tunneling amplitudes – and, thus, the effective SOC strength – with high fidelity ($R^2\approx 0.94$) even when all other Hubbard model parameters are unknown. Furthermore, our neural network can also predict the other Hubbard model parameters with high fidelity, demonstrating that neural-network-based approaches can be a powerful tool for the automated characterization of hole
spin qubit arrays.
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Statistical Mechanics
Quantum state randomization constrained by non-Abelian symmetries
Yuhan Wu and Joaquin F. Rodriguez-Nieva
The emergence of randomness from
unitary quantum dynamics is a central problem across diverse disciplines, ranging from the foundations of statistical mechanics to
quantum algorithms and
quantum computation. Physical systems are invariably subject to constraints – from simple scalar
symmetries to more complex non-Abelian ones – that restrict the accessible regions of
Hilbert space and obstruct the generation of pure random states. In this work, we show that for systems with noncommuting
symmetries such as SU(2), the degree of Haar-like randomization achievable under
unitary dynamics is strongly constrained by experimental limitations on state initialization, in particular low-
entanglement initial states, rather than by the
symmetry-constrained dynamics themselves. Specifically, we show that time-evolved states can, in principle, reproduce Haar-like behavior at the level of finite statistical moments (i.e., those accessible under realistic experimental conditions with a finite number of state copies) provided that the initial state matches the corresponding moments of the conserved operators in the Haar ensemble. However, for the unentangled initial states commonly used in programmable
quantum systems, this condition cannot be satisfied. Consequently, even at asymptotically long times in strongly
quantum-chaotic regimes, late-time states remain distinguishable from Haar-random states in probes such as
entanglement entropy, with deviations from Haar behavior that remain finite with increasing system size. We quantify the maximal
entanglement entropy achievable and identify the unentangled initial conditions that yield the most entropic late-time states. Our results show that the combination of non-Abelian
symmetry structure and experimental constraints on state preparation can strongly limit the degree of Haar-like randomization achievable at late times.
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