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Physics Condensed Matter

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Thursday 20 August

Mesoscale and Nanoscale Physics

Coulomb blockade-like transport and enhanced memory in organic transistors embedded with sub-nm Pt nanoparticles for neuromorphic computing

Organic transistors are playing an increasingly important role for neuromorphic applications. However, devices that rely solely on ferroelectric switching or on interface traps for their multi-conductance states exhibit limited memory windows. Here, we introduce an ultrathin oxide layer with a uniform distribution of sub-nm platinum nanoparticles (PtNPs) at the interface of a polymer semiconducting and a ferroelectric dielectric in a thin film transistor architecture. The interfacial stack, Al$_2$O$_3$/PtNP/Al$_2$O$_3$, provides a viable route for localized charge trapping and de-trapping in a region where it can most effectively influence the channel conductance. The organic transistors display a large memory window (> 20 V) in their current-voltage characteristics. The sub-nm PtNPs give rise to features that are consistent with room temperature Coulomb blockade-like transport, supporting discrete and well-separated levels within the memory window. The devices support multimodal programming using electrical and optical stimuli with both long-term plasticity and enhanced short-term plasticity (STP) phenomena. These results open new directions for implementing STP in the development of neuromorphic computing.
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All authors Arash Ghobadi, Thomas B. Kallaos, Abhi Abhijeet, Stephen C. Klue, Joseph C. Mathai, Carsten A. Ullrich, Shubhra Gangopadhyay, Suchismita Guha

Quantum Gases · Cross-listed from quant-ph

Nonthermal Dynamics of a One-dimensional Rydberg-atom Chain with Constraint Four-body Interactions

We investigate dynamics of a linear chain of Rydberg atoms driven by a constrained four-body interaction, where two neighboring atoms are excited simultaneously from the electronic ground state $|0\rangle$ to Rydberg state $|1\rangle$ only when their closest neighbors are in $|0\rangle$ state. By employing an ansatz for the many-body ground state, the low-energy Hamiltonian is given by a tridiagonal form. The many-body ground state energy, which scales linearly with the chain length $L$, is obtained analytically in the thermodynamic limit and agrees with the one of the exact diagonalization. Our model supports quantum many-body scar eigenstates that are nearly equally spaced energetically. The scar states overlap strongly with the basis state $|\mathbf{0}\rangle=|0\cdots 0\rangle$. We show that the overlap distribution is tilted by the state-dependent four-body interaction. This leads to non-ergodic dynamics, evidenced by the revival of the initial state. The four-body constrained model can be realized with Rydberg atoms in a Peierls array with alternating bond lengths, where atoms on the shorter and longer bonds experience Rydberg blockade and antiblockade, respectively. Our study provides a pathway to explore constrained non-ergodic dynamics with four-body interactions by combining the Rydberg blockade and antiblockade.
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Statistical Mechanics

Splitting probabilities for Brownian motion with diffusing boundaries: Application to polymer translocation

We study the translocation of a polymer chain through a nanopore where the chain length fluctuates stochastically due to the polymerization-depolymerization processes at the chain ends. We map this process to an equivalent representation where the pore performs a stochastic random-walk-like process on a line in the presence of two diffusing sinks on either side of it with diffusion constants $D_1$ and $D_3$ respectively. The translocation process terminates when the pore hits either of the two outer diffusing sinks. In the case where the pore motion itself is diffusive with diffusion constant $D_2$, we compute exactly the splitting probability that the pore hits the left (right) sink before hitting the right (left) sink. We show that the splitting probability in the presence of mobile sinks is rather nontrivial compared to the classical case of immobile sinks (the latter corresponds to the case when the chain length is fixed). Furthermore, we also compute exactly the probability distribution of the translocation time and that of the chain length at the completion time of the translocation. We show that both distributions have power law tails with exponents that depend continuously on the diffusion constants $D_1$, $D_2$ and $D_3$. We validate our analytical predictions via numerical simulations. We then present numerical results for the case when the pore performs a fractional Brownian motion with Hurst exponent $0<H<1$, while the sinks are still diffusive.
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Strongly Correlated Electrons

Universal meson spectra near $(1+1)$-dimensional Ising criticality

Near $(1+1)$-dimensional [$(1+1)$D] Ising criticality, a magnetic perturbation induces confinement and produces a cascade of bound-state excitations known as mesons. Here we show these mesons share a universal mass scaling after independently rescaling the model-dependent microscopic couplings. The number of stable mesons is controlled by the lightest two-meson threshold, while the lightest-meson mass follows a continuous trajectory characterized by a single scaling parameter. Using Hamiltonian truncation method, we obtain the trajectory numerically in both Ising field theory and the near-critical mixed-field Ising chain (MFIC). Under the rescaling, the trajectory and stable-meson-count crossover windows of MFIC both collapse onto the field-theory results. To further demonstrate the above universal organization of the meson spectra, we consider a class of four-periodic spin-$1/2$ Heisenberg-Ising chains under transverse fields, whose parameter space contains a family of quantum Ising critical points. The Hamiltonian family includes effective spin models for the quasi-one-dimensional antiferromagnets Ba(Sr)Co$_2$V$_2$O$_8$. Using tensor-network calculations, we obtain the corresponding lightest-meson mass trajectory for BaCo$_2$V$_2$O$_8$ and find that it also collapse onto the same universal curve given by field-theory result. Our results suggest that the universal scaling structure of quantum Ising criticality extends into the nearby confining regime, governing the organization of the meson spectrum. They thereby provide a practical criterion for interpreting excitations of quasi-1D Ising-like magnets in mixed fields beyond $E_8$ integrability.
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Statistical Mechanics · Cross-listed from quant-ph

Rigorous existence and location of quantum phase transitions in lattice Hamiltonian systems

We extend the analysis of the class of quantum phase transitions (QPTs) that can be interpreted as condensations in state space, first introduced in [M. Ostilli and C. Presilla, J. Phys. A 54, 055005 (2021)], by generalizing the arguments of [M. Ostilli and C. Presilla, Phys. Rev. Lett. 127, 040601 (2021)] to prove the existence and determine the location (via simple bounds) of QPTs in general one-parameter lattice Hamiltonians. Unlike our original formulation, this extension also encompasses second-order QPTs, for which we provide the explicit example of the transverse-field Ising model. Our analysis suggests that, under conditions typically satisfied in physical contexts, any QPT taking place in lattice systems can be interpreted as a condensation in state space.
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Materials Science

Three-dimensional imaging of oxygen dopant distribution in Sr$_2$CuO$_{3+\delta}$ by electron ptychography

Oxygen dopants play a critical role in tuning the properties of cuprate superconductors, yet it is challenging to visualize them at the atomic scale. Here, we use multislice electron ptychography to directly image oxygen dopants in a Sr2CuO3+delta film. We observe oxygen dopants at interstitial sites between the Cu-O chains, with a strong preference for clustering in tensile-strained regions, which are often associated with dislocations and interfacial steps. These findings indicate that the oxygen dopant distribution in cuprates is not random but rather sensitive to strain field, suggesting strain as a doping tuning parameter.
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All authors Hongbin Yang, Jinkwon Kim, Desheng Ma, Dasol Yoon, Darrell G. Schlom, David A. Muller

Mesoscale and Nanoscale Physics

Floquet Theory for Light-Driven Rotation of Dipolar and Multipolar Particles

Nano- or micro-particle rotation driven by light has been well known in the fields of optical manipulation and optical physics since the end of the last century. It is viewed as a sort of angular-momentum transfer from light to material, but its microscopic analysis based on the Hamiltonian or the equation of motion has been less developed. We model this rotation with a simple setup of an electrically dipolar or multipolar particle irradiated by circularly polarized laser and comprehensively analyze the Langevin-type equation of motion by using the Floquet theory for dissipative classical systems and the mode separation method. Furthermore, we numerically compute the time evolution of the particle. As a result, we accurately estimate the dependence of the laser-frequency, laser-intensity, particle mass, temperature, and friction (dissipation) on the laser-driven rotation. We determine the “nonequilibrium phase diagram” of the laser-driven rotation in a broad parameter regime, which consists of three regimes: the rotation frequency $\Omega\propto\omega^{-1}$, $\Omega\propto\omega^{-3}$, or $\Omega=\omega$ ($\omega$ is the laser frequency). Comparing our theoretical result with some experiments, we show that the result of the overdamped Langevin equation is qualitatively consistent with the experiments.
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Materials Science

A Unified Theoretical Framework for Photoemission and Its Inverse: Reciprocity, Spin, and Photon Polarization

We present a unified theoretical framework for spin- and angle-resolved photoemission spectroscopy (SARPES) and its inverse process (SARIPES), treating both on an equal footing. The formulation is based on a response tensor that encodes the reciprocity between the two processes. We show that polarization tomography within SARPES calculations provides a systematic route for reconstructing the tensor elements. The number of independent components is significantly reduced by symmetry constraints, which in turn allows for explicit expressions describing spin-reversal processes and intensity modulations. The formalism is illustrated for the W(110) surface. The resulting framework provides a symmetry-adapted description of spin-dependent optical transitions at surfaces and enables the direct prediction of SARIPES intensities from SARPES calculations.
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Quantum Gases

Anyon condensates of dipoles in triangular ladders

Hard-core dipoles in triangular ladders are an excellent platform for the study of the interplay between frustration and long-range interactions, well described by a modified version of the celebrated $J_1$–$J_2$ model. Interestingly, as shown in [Phys. Rev. Lett. 109, 227203 (2012)], such a model presents, for particular exactly-solvable conditions, a peculiar phase known as an anyon condensate. We show that balanced anyon condensates are robust against deviations from the exactly-solvable conditions, and discuss the requirements for dipolar orientation and ladder geometry, to realize anyon condensates of dipoles in triangular ladders, whose anyonic nature may be easily revealed by time-of-flight measurements. Moreover, the ground-state physics in the vicinity of the exactly-solvable point is very rich, including a phase transition from anyon condensates into chiral superfluids, and self-bound Mott insulators, bond-order insulators, and chiral liquids.
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Materials Science

Quantum Dissipative Paraelectricity

Whether a quantum system with a double-well effective potential undergoes spontaneous symmetry breaking depends not only on the potential landscape but also on the kinetics and the coupling with additional degrees of freedom. Here we introduce a quasi-exactly solvable model to study this problem in the context of ferroelectrics, with results that apply to a broad class of quantum phase transitions. Exploiting the analytical solutions, we provide a strict definition of the quantum paraelectric regime and identify a distinct quantum ferroelectric regime in which symmetry breaking can be realized without tunneling features. We then show that explicit symmetry breaking cannot be inferred from the order-parameter Hamiltonian alone, but requires additional couplings. This leads us to identify a regime of quantum dissipative paraelectricity, in which observable symmetry breaking is suppressed during the evolution toward the ground state, even when the double-well structure dominates over zero-point quantum fluctuations.
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Superconductivity

Photogalvanic transport of nonreciprocal Cooper-pair fluctuations

We develop a theory of the nonlinear optical and transport responses of two-dimensional noncentrosymmetric superconductors in the fluctuation regime above the transition temperature, encompassing the photogalvanic effect, second-harmonic generation, and the photovoltaic Hall effect. In the vicinity of the transition these responses are strongly enhanced by preformed Cooper pairs, whose nonreciprocity enters the time-dependent Ginzburg-Landau description in two physically distinct ways: through thermodynamic Lifshitz invariants, which encode an asymmetric pair spectrum, and through kinetic Lifshitz invariants, which encode an asymmetric pair relaxation and are locked to the Langevin noise by the fluctuation-dissipation theorem. We derive generalized master formulas for the paraconductivity (Aslamazov-Larkin) and the quantum-interference (Maki-Thompson) channels of the nonlinear current, valid at arbitrary drive frequency and to linear order in the nonreciprocal perturbations, and reduce them to closed-form dimensionless functions. Circular polarization discriminates sharply between the mechanisms: for reciprocal momentum-structureless noise the Aslamazov-Larkin channel is polarization insensitive and its circular photogalvanic response vanishes for any pair spectrum, whereas the Maki-Thompson channel and the nonreciprocal noise support helicity-odd rectified currents, including a fluctuation photovoltaic Hall current flowing transverse to the strain axis. Applications to Rashba-type ($C_{3v}$) and Ising-type ($D_{3h}$) superconductors demonstrate how the point-group symmetry dictates the allowed vector structures of the nonlinear currents, and how polarization analysis together with the frequency and dephasing dependences can be used to separate the individual channels experimentally.
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Statistical Mechanics

Biorthogonal Conformal Dynamics in Non-Hermitian Quantum Quenches

Global quenches at one-dimensional critical points admit a boundary conformal field theory (BCFT) description in which Euclidean strip correlators are analytically continued to real time. We formulate this construction for interacting non-Hermitian critical systems, where a right ket alone does not specify the dynamical readout and the left covector is part of the microscopic quench protocol. Independent left and right preparations flowing to the same conformal boundary define the two temporal boundaries of a strip with generally complex one-sided extrapolation parameters; linear and antilinear symmetry pairings are exploited to constrain this geometry. In the interacting Yang-Lee spin chain, statically calibrated boundary data determine the biorthogonal dynamics of the complete-character return amplitude, a primary one-point function, and a spatial correlator. The imaginary part of the linear-paired extrapolation parameter predicts the temporal center of an independently evolved antilinear-paired one-point function at the $10^{-3}$ relative level; the same preparation phase controls local phase evolution and the analytic-continuation path of boundary blocks. Further results test this formalism with a direct field-on quench, mixed left and right preparations, and a complex five-state Potts fixed point with complex primary dimensions. These results establish a BCFT framework for biorthogonal global quenches in interacting non-Hermitian critical systems, in which complex temporal-boundary data organize universal post-quench dynamics.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

The ebbs and flows of quantum learning and sensing

What is the relation between subsystem quantum complexity and the emergence of computationally useful structure? We address this by studying a family of minimally tunable postvariational quantum circuits, and show how spectral nonflatness and metrological response directly control the ensemble-typical information processing power. This unveils an intermediate "learning phase" that precedes the onset of quantum chaos, characterized by pronounced nonflatness and sensitivity of readout states. The optimal information processing capacity improves with system size, while deep scrambling suppresses observable response. The results reveal how such features of random quantum dynamics can be viewed as computational resources for scalable nonlinear computation.
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All authors Matias Karjula, Teemu Ojanen, Tapio Ala-Nissila, Moein N. Ivaki

Statistical Mechanics · Cross-listed from quant-ph

A Zoology of Quantum Turing Patterns

We explore quantum Turing pattern zoology, where the same Lindblad equation supports a morphology atlas of stripes, spots, holes, labyrinths, and defects. The stable stripe species provides a quantitatively controlled case in which morphology and Gaussian witness loss separate parametrically. In particular, visible Turing stripes can remain after two Gaussian witness margins associated with the same $k_*$ mode cross zero in a completely positive Lindblad lattice. The witness thresholds on the exact shell fall as $\mathcal{N}^{-1}$. The stripe nematic threshold tends to a nonzero value at fixed lattice size, time window, and morphology criterion. The ratio of the morphology threshold to either witness threshold therefore grows with $\mathcal{N}$. Imaging and momentum-resolved covariance measurements probe these sectors separately.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

Reinforcement Learning to Harness Approximation Errors for Long-Time Quantum Simulation

Accurate digital quantum simulation at long times is limited by the accumulation of errors inherent to approximate simulation. Here we introduce RL-Trotter, a reinforcement-learning framework that treats unavoidable approximation errors as resources for error correction rather than merely imperfections to suppress. We show that low-dimensional information from conservation laws, such as the energy and energy variance, provides a sufficient learning signal to guide the agent, which learns to adapt a single scalar—the next Trotter step size—without access to the target wave function. By optimizing the entire long-time evolution rather than individual steps, RL-Trotter discovers self-correcting sequences in which later errors compensate for those accumulated earlier, increasing the accuracy of the long-time dynamics. The learned policies are intrinsically robust to measurement noise, substantially reducing measurement overhead. They also generalize to previously unseen, physically similar initial states and transfer from small, classically simulable systems to systems an order of magnitude larger. This enables a practical protocol based on classical pretraining followed by direct deployment or limited fine-tuning on quantum hardware. Our results establish a broader perspective for quantum algorithms: errors in approximate evolution can be orchestrated into resources for accurate and resource-efficient quantum dynamics.
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All authors Yu-Bo Shi, Markus Heyl, Roderich Moessner, Marin Bukov, Hongzheng Zhao

Statistical Mechanics · Cross-listed from quant-ph

Boltzmann counting in Hilbert space

We introduce a geometric entropy for quantum preparations, defined as the logarithm of the Hilbert-space volume of pure states compatible with a given set of constraints. This construction extends Boltzmann's counting perspective to the quantum setting, where compatible states need not be orthogonal and the relevant notion of "number of states" is naturally replaced by a volume in state space. We analyze three classes of constraints: restriction to a subspace, fixed expectation values, and coarse-grained subsystem descriptions. For representative examples, including subspace projection, spin expectation values, partial trace, and an imperfect detector map, we obtain explicit scaling laws and closed-form expressions for the associated volumes. The resulting framework provides a geometric measure of quantum ignorance at the level of the preparation and complements entropy notions based on density matrices and coarse graining.
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All authors Raúl O. Vallejos, Isadora Veeren, Frederico Brito, Fernando de Melo

Quantum Gases

Structural complexity of an SU(3) Fermi Hubbard model

Two-dimensional quantum gas microscopy provides an unparalleled tool to study quantum many-body systems using ultracold atoms. For the SU(2) Fermi Hubbard model (FHM), access to spin-resolved projective measurements has been vital for quantifying correlation functions and mapping out the phase diagram. Recent progress in quantum gas microscopy for experiments with ultracold alkaline-earth atoms, which are well described by the SU(N) FHM and are predicted to host exotic ground-state phases, calls for the development of theory-free numerical techniques to extract physical information from their projective measurements. To that end, we evaluate the multiscale structural complexity of snapshots of an SU(3) FHM in the square lattice at $1/3$-filling. We employ mean-field theory to generate spin-resolved density distributions and compute their structural complexity using rectangular coarse-graining windows. We demonstrate that these complexities are linked to relevant physical observables such as the entanglement entropy, and are extremely sensitive for locating phase boundaries. The results presented here validate the structural complexity as an efficient and reliable tool for analyzing the outputs of SU(N) quantum gas microscopes, offering a theory-free property, immediately accessible to experiments.
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Materials Science

Effects of the surface on double surface Fermi arcs in a realistic tight-binding model of Na$_3$Bi (100)

Na$_3$Bi is a topological Dirac semimetal (TDSM) that can support double surface Fermi arcs (DSFAs), which are important for its material classification and their potential use in spintronic devices. However, it is unclear how the surfaces affect realistic Na$_3$Bi (100) systems. To investigate the effects of diverse surfaces on DSFAs, we consider first principles derived tight-binding models of two Na$_3$Bi (100) terminations. On the stoichiometric termination, we find DSFAs as expected. On the non-stoichiometric structure there are DSFAs on one termination and two loops that retain many of the properties of DSFAs. Thus, the local properties such as spin momentum locking and hybridization with the Dirac points appear to be more robust than their global connectivity. That is, the surface can reshape the arc fingerprint without destroying the arc-like physics.
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Superconductivity

Josephson transport in YBa${}_{2}$Cu${}_{3}$O${}_{7}$ weak links created by focused-helium-ion-beam irradiation: Analysis based on diffusive-SNS-junction model

Fabrication of YBCO weak links by focused helium ion beam irradiation is a promising approach for realizing high-temperature superconducting Josephson junction devices. Although empirical dose-characteristic relationships have been established, the underlying transport mechanisms remain unclear. In this study, we perform a detailed investigation of the transport properties of YBCO weak links fabricated using a helium ion microscope (HIM) and provide a unified phenomenological description of the observed behavior based on the theory of SNS junctions with a diffusive metallic interlayer. We demonstrate that the temperature dependence of the critical current $I_{\mathrm{c}}$ and the $I_{\mathrm{c}}R_{\mathrm{n}}$ product are well described by diffusive SNS junction models over a wide temperature range. Analyses show that the observed dose dependences of $I_{\mathrm{c}}$ and $I_{\mathrm{c}}R_{\mathrm{n}}$ cannot be explained solely by variations in the effective Thouless energy $E_{\mathrm{T}}$. The discrepancy suggests reduced interface transparency and a reduction in the density of states, leading to a decrease in the effective number of conducting channels contributing to transport. This interpretation is also consistent with the observed exponential increase in $R_{\mathrm{n}}$ with irradiation dose. These results provide a diffusion-based framework for understanding Josephson transport and guiding junction design in helium-ion-irradiated YBCO weak links.
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All authors Tetsuro Misawa, Shigeyuki Ishida, Hiroshi Eisaki, Yukinori Morita, Shinichi Ogawa, Chiharu Urano

Statistical Mechanics

Fluctuation-Controlled Asymmetric Kinetics in Metal-Insulator Transitions

We report asymmetric kinetics in thermally driven metal-insulator transitions (MITs) in 1T-TaS$_2$. Using combined transport, calorimetric, and Raman measurements, we show that the transition proceeds via burst-like avalanches during cooling, while remaining continuous during heating. Although bulk transport is masked by percolative conduction, local probes and thermal measurements reveal intrinsic asymmetry in the transformation pathways. Using controlled nonequilibrium thermal perturbations generated by pulsed Joule heating, we demonstrate that the phase-ordering dynamics remains strongly athermal during cooling, whereas during heating fluctuations progressively overcome nucleation barriers, leading to a smooth transformation. The distinct responses to thermal perturbations indicate different degrees of athermality of the two hysteresis branches, which govern the transformation pathways and give rise to the observed kinetic asymmetry. These results establish a general framework in which the degree of athermality controls pathway selection in first-order phase transitions.
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All authors Tapas Bar, David Pesquera, Timm Swoboda, Arnau Villalobos-Martin, Cristian Rodriguez-Tinoco, Pol Lloveras, Marianna Sledzinska, Javier Rodriguez-Viejo

Soft Condensed Matter · Cross-listed from physics.bio-ph

Growth phases of an active tissue: determinate, indeterminate, and proportionate

Growth may cease at a target size or continue throughout life: the determinate and indeterminate phenotypes. We develop an active viscoelastic continuum model of a tissue growing along one axis, in which cell division and death generate active stresses. We find two asymptotic states: one in which the tissue reaches a relative size fixed by its material parameters, and one in which it elongates linearly without bound. Which state is realised is set by the ratio of active stress to elastic modulus. The transition originates in a bound on the elastic stress the tissue can support: a sufficiently large activity can never be balanced. In a tissue made of parts with different material properties, the growing phase settles into fixed length proportions, set by the mechanical impedances of the parts rather than inherited; matching impedances to initial lengths preserves the proportions the tissue began with. Determinate, indeterminate and proportionate growth thus appear as regimes of one continuum mechanical framework.
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Quantum Gases

Kibble–Zurek Scaling in the Dicke Model at Mesoscopic Scales

The Dicke model is a paradigmatic setting for collective light-matter physics and the superradiant phase transition. Yet extracting the critical exponents is challenging at experimentally accessible mesoscopic sizes, due to the slow divergence of the correlation time under all-to-all coupling and a photon-loss-driven crossover to a distinct dissipative universality class. Here, we perform a large-$N$ analysis that identifies distinct coherent and dissipative fixed points for the closed and open Dicke models. We then develop a unified mesoscopic scaling framework that incorporates the leading irrelevant correction and, going beyond static and spectral probes, brings ramping dynamics under the same scaling description. It recovers the corresponding exponents, verifies Kibble-Zurek scaling, and clarifies how finite size, dissipation, and speed compete in the ramping dynamics. Our work thus establishes a unified framework for resolving static and dynamical critical scaling in closed and open quantum systems, with broader applicability to mesoscopic systems with long-range interactions.
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Strongly Correlated Electrons

Pressure-tuning of electronic structure of CeTe3 probed by femtosecond collective mode spectroscopy

We use femtosecond optical spectroscopy to study the evolution of coherent order-parameter dynamics in the prototypical charge-density-wave (CDW) system CeTe3 under hydrostatic pressure. The CDW transition temperature decreases from approximately 570 K at ambient pressure to near room temperature at approximately 6 GPa. The pressure dependence of the order-parameter recovery dynamics indicates enhanced electron-phonon coupling with increasing pressure, implying that CDW suppression is driven predominantly by the reduction in Fermi-surface nesting. Above 7 GPa, no evidence of CDW order is observed down to cryogenic temperatures. Concurrently, the relaxation dynamics exhibit significant slowing down at low-temperatures, consistent with emerging heavy-electron behaviour due to pressure-enhanced hybridization between localized Ce 4f levels and itinerant carriers.
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All authors Chandra V. Kotyada, Priyanka Yogi, Amon P. Lanz, Rolf Heid, Jonas Tauch, Manuel Obergfell, Hanjo Schaefer, Paula Giraldo-Gallo, Ian R. Fisher, Alexej Pashkin, Jure Demsar

Soft Condensed Matter

Effect of molecular constraints on vibrational and quasilocalized excitations in glasses

Recent years have seen substantial progress in elucidating the statistical physics of the vibrational properties of structural glasses. Although many real-world glasses relevant for science and technology are molecular, the majority of computational studies concerning the mechanical and vibrational properties of structural glasses employ simple atomistic glass-forming models. Thus, the effects of stiff molecular constraints on mechanical and vibrational glass physics remain largely unexplored. In this work, we directly compare the properties of a molecular computer glass with those of an atomistic model featuring the same inter-molecular interaction potential, and created using the same formation protocol. We find that the molecular glass features a higher degree of mechanical disorder, with larger mesoscopic correlation lengths, while at the same time it hosts a lower number of soft, quasilocalized vibrations per atom – compared to the atomistic glass. We rationalize these differences by accounting for the reduction in the effective number of degrees of freedom induced by the stiff molecular constraints. We additionally find that nonlinear plastic modes — that carry plastic deformation in driven glassy solids — couple much more strongly to volumetric strains in the molecular glass. Future research directions are discussed.
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Materials Science

Anomalous behavior of native point defects in C2-ordered antiferromagnet $\alpha$-MnO$_2$

$\alpha$-MnO$_2$ is an emerging material for electronic, optoelectronic, and energy applications, owing to its structural flexibility and defect-driven functionality. During synthesis of $\alpha$-MnO$_2$, native oxygen vacancies readily form and are typically compensated by foreign dopants. A thorough understanding of intrinsic defects is therefore essential for enabling controlled extrinsic doping and optimizing material performance. Using density functional approach, we investigate the structural, electronic, magnetic, and optical properties of the ground state C2-type antiferromagnetic $\alpha$-MnO$_2$ in the presence of native point defects, including interstitials, vacancies, and antisites. We compute their thermodynamic stability, incorporating electrostatic corrections to eliminate spurious long-range interactions. Mn interstitial (Mn$_\text{i}$) and Mn antisite O (Mn$_\text{O}$) introduce shallow donor levels, whereas O-vacancy (V$_\text{O}$) exhibit amphoteric behavior and act as compensating centers. The calculated defect formation energies reveal pronounced competition between donor- and acceptor-type native defects, leading to strong intrinsic defect compensation under both Mn-rich and O-rich growth conditions. Mn vacancy (V$_\text{Mn}$) remains ionized across the band gap and behaves as a shallow acceptor, suggesting its potential role under suitable non-equilibrium growth conditions, whereas O antisite Mn (O$_\text{Mn}$) forms deep acceptor levels. BSE@G$_0$$W_0$ calculations reveal a strongly anisotropic optical response in stoichiometric $\alpha$-MnO$_2$, while native point defects introduce pronounced sub-gap excitations and enhanced dielectric screening, with vacancies producing the largest effect.
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Materials Science

Amorphous and Nanocrystalline Topological Semimetal YPtBi/W/CoFeB Heterostructures for BEOL-Compatible Spin-Orbit Torque Devices

Spin-orbit torque (SOT) devices require spin-source materials that combine efficient charge-to-spin conversion with back-end-of-line (BEOL) thermal compatibility. Here, we show that YPtBi/W/CoFeB heterostructures deposited directly on Si/SiOx remain predominantly amorphous or weakly nanocrystalline from room temperature to 400 {\deg}C while preserving a large effective damping-like SOT response. Anomalous Hall and harmonic Hall measurements, together with X-ray diffraction, cross-sectional transmission electron microscopy, X-ray reflectivity, and electron energy-loss spectroscopy, show that the response does not correlate with bulk crystallization of YPtBi. Instead, the interfacial analysis indicates that the strongest trend of the spin Hall angle is associated with the chemistry of the upper YPtBi/W boundary: the effective SOT response tracks the integrated W concentration at that YPtBi surface. Meanwhile, a two-spin source analysis shows that the Pt-W-rich interlayer provides only a small positive correction, insufficient to explain the large negative effective spin Hall angle by itself. The dominant control variable is therefore inferred to be the incorporation of W into the upper YPtBi interface, which plausibly modifies the local electronic structure of YPtBi and amplifies the stack-level response. These results provide a more physically constrained interpretation of the stack behavior and identify a BEOL-compatible route to disordered topological spin-source layers for scaled SOT memory and compute-in-memory hardware.
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All authors Quang Le, Brian R. York, Cherngye Hwang, Xiaoyong Liu, Tsann Lin, Xiaoyu Xu, Yudi Wang, Jia Li, Mazin Osman, Katherine Le, Maher Osman, Son Le, Lei Xu, Maki Maeda, Tuo Fan, Yu Tao, Hisashi Takano, Sho Kagami, Ohiro Fujie, Pham Nam Hai

Disordered Systems and Neural Networks · Cross-listed from physics.soc-ph

Emergence of cooperation: A reputation-modulated reinforcement learning

Reputation is widely recognized as a key mechanism for sustaining cooperation. However, most existing game-theoretic models treat reputation primarily as an external factor that modulates payoffs, interaction structures, or strategy update rules. In many social contexts, though, reputation operates primarily as information – it shapes how individuals interpret their own experiences and assess the behavior of others. To bridge this gap, we propose a spatial prisoner's dilemma game grounded in the reinforcement learning paradigm, in which agents equipped with Q-learning integrate both individual and social information via a locally defined reputation metric to guide their decisions. Our results reveal that reputation-modulated learning significantly promotes the emergence of cooperative behavior, and we observe a discontinuous phase transition from full cooperation to full defection as the temptation increases. Cooperation spreads through the nucleation of cooperative clusters, whereas the disintegration of these clusters drives the system into an absorbing state of complete defection. Overall, this study demonstrates that reputation facilitates cooperation not only by providing direct incentives but also by reshaping the social information landscape that agents rely on for learning and adaptation.
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All authors Chenyang Zhao, Jiqiang Zhang, Li Chen, Yong Zou

Statistical Mechanics

Exact Fluctuation-Response Relations for Underdamped Langevin Dynamics

Thermodynamic uncertainty relations connect current fluctuations to dissipation and, in certain settings, can emerge from underlying fluctuation-response relations. However, in underdamped dynamics, conventional mean-current uncertainty relations can fail, and the underlying connection between fluctuations, response, and dissipation remains elusive. Here, we uncover this connection by deriving an exact finite-time fluctuation-response equality for underdamped Langevin dynamics, which is valid for arbitrary time-dependent driving and general additive observables. The equality yields sharp response bounds and a variational characterization of the dynamically generated variance. Choosing the perturbation along the irreversible probability flow, we obtain an experimentally accessible friction-response thermodynamic uncertainty relation that is saturable at any finite observation time. It provides both an exact variational principle for entropy production and a weak-noise coherence-dissipation bound for underdamped limit cycles. We further show that the conventional uncertainty factor of velocity-resolved currents can decay exponentially with dissipation, even in driven free diffusion, whereas the friction-response factor retains its universal lower bound. These results establish response, rather than the mean current itself, as the quantity directly linking fluctuations and dissipation in underdamped dynamics.
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All authors Tan Van Vu, Van Tuan Vo, Ruicheng Bao, Keiji Saito

Soft Condensed Matter

Role of topology in scaling laws for studying mechanics in open-porous solids: Moving beyond classical Gibson-Ashby scaling

The elastic modulus of porous materials is commonly described using power-law scaling relations with relative density, where the scaling exponent is often interpreted in terms of the underlying deformation mechanism. However, in highly disordered porous networks, changes in density are generally accompanied by changes in network topology, which can substantially modify the apparent scaling behavior. In this paper, we propose a topology-informed framework that separates the intrinsic mechanical contribution from the effects of network structure. Three representative topological descriptors are considered: the mean coordination number, the fraction of the load-bearing backbone, and the tortuosity of the load paths. For each case, the corresponding density-dependent contribution to the apparent modulus-scaling exponent is derived and analyzed. The results show that variations in connectivity, mechanical participation of the solid phase, and load-path efficiency can all lead to apparent scaling exponents exceeding the intrinsic exponent associated with the local deformation mechanism. These effects are particularly pronounced at low relative densities, where network topology evolves most strongly. The framework provides a physically interpretable basis for understanding anomalous modulus-density scaling in disordered porous materials and highlights the need to consider topology explicitly alongside relative density.
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Statistical Mechanics · Cross-listed from quant-ph

Dynamical one-from-many quantum metrology: Sum rule and matrix-free precision bound

Practical quantum single-parameter estimation is rarely a pristine task; it almost invariably involves nuisance parameters, casting it as a one-from-many problem. Existing approaches to this problem rely on multi-parameter metrology, reducing the matrix quantum Cramér-Rao bound to obtain scalar quantum precision limits. However, these methods are often hampered by the demanding inversion of the quantum Fisher information (QFI) matrix and the requisite choice of a weight matrix, and they break down when the QFI matrix becomes singular. Here, we show that for dynamical one-from-many estimation, a previously overlooked sum rule connecting the QFI about all model parameters to the QFI about time necessitates including the latter to consider an augmented QFI matrix while simultaneously rendering it inherently singular–precisely the scenario where conventional approaches fail. To meet this challenge, we derive a tight, matrix-free quantum precision bound that involves only scalar quantities, offers broad applicability, and subsumes existing results as special cases. Validated in both unitary and noisy settings, our findings provide a refined operational framework for practical quantum single-parameter metrology.
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