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Physics Condensed Matter

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Thursday 6 August

Mesoscale and Nanoscale Physics

Impact of spin-orbit coupling on electron correlation corrections to the density of states in anisotropic conductors

We study Altshuler-Aronov-type interaction corrections to the single-particle density of states (DOS) in a strongly anisotropic 2D conductor with an open Fermi surface (FS) and weak disorder, in the presence of coexisting Rashba and Dresselhaus spin-orbit couplings (SOCs) constrained to the longitudinal direction. The low-energy band consists of two warped sheets weakly tunnel-coupled transversely; SOC splits the sheets into helicity branches with a fixed spin axis. Working in a Matsubara space, we compute the exchange contribution in the diffusion channel with dynamically screened Coulomb interaction and an impurity ladder. The resulting DOS anomaly exhibits a dimensional crossover governed by the transverse coupling scale $\varepsilon_c$. Close to the Fermi level ($|\varepsilon-\varepsilon_F|<\varepsilon_c$), the system behaves two-dimensionally, featuring a logarithmic DOS dip whose magnitude is enhanced by intrinsic SOCs. Further from the Fermi level ($|\varepsilon-\varepsilon_F|\!>\!\varepsilon_c$), the system behaves quasi-one-dimensionally, featuring a sharper square-root singularity whose amplitude is remarkably enhanced by the SOCs. Notably, we identify a critical SOC strength at which these spin-orbit effects exactly cancel the electron-correlation correction, perfectly restoring the unperturbed density of states. Furthermore, increasing the SOC beyond this critical point inverts the sign of the anomaly entirely, yielding a positive DOS correction. This sign reversal fundamentally alters the energy dependence, such that at energies beyond $\varepsilon_F + \varepsilon_c$, the positive correction decays to smaller values as energy increases, opposite to the standard negative correction. This contrasting trend provides a distinct spectroscopic signature of SOC-modulated correlation effects.
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Materials Science

Magnetic susceptibility of diluted magnetic semiconductors at low carrier densities

We calculate the static longitudinal and the transverse dynamic magnetic susceptibilities of (III,Mn)V diluted magnetic semiconductors, using the random phase approximation, for a simple impurity band model appropriate for the low charge carrier concentration regime. The magnetic susceptibilities are shown to depend sensitively on the amount of positional disorder of the Mn impurities. The results we obtain are consistent with previous studies of the spin wave spectrum and of the spatially inhomogeneous ferromagnetic state of these materials.
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Materials Science

Interface Engineering of Helium Confinement in Argon-Preplated MCM-41 Nanopores

Atomic-scale modification of mesopore interfaces provides a route to tune the confinement experienced by adsorbed fluids, but how a specific interface preparation translates into the resulting microscopic confinement potential remains unclear. Here, we show that preplating MCM-41 with an argon monolayer modifies the effective pore interface by occupying strongly attractive regions of the heterogeneous silica surface and screening its atomic-scale corrugation. Grand-canonical Monte Carlo simulations of argon adsorption, low-temperature molecular dynamics, and helium test-particle insertion are combined with adsorption isotherms and neutron-scattering measurements to characterize the preplated pore at the atomic scale. Helium test-particle insertion calculations show that the modified interface shifts the helium adsorption minimum to an annular region inside the pore and produces a confinement landscape dominated by a smooth radial component. The resulting radial confinement potential can be described by a continuum cylindrical model, providing microscopic support for the effective potential used in earlier quantum Monte Carlo studies. Residual corrugation persists over multiple spatial scales and is accurately captured by a Gaussian process surrogate. These results demonstrate how atomic preplating can tailor nanopore confinement and provide an experimentally constrained microscopic potential for predictive studies of confined quantum fluids.
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All authors Rahul Soni, Nathan S. Nichols, Sutirtha Paul, Garfield Warren, Paul Sokol, Adrian Del Maestro

Strongly Correlated Electrons

Local Spin Excitations Mediate Quasiparticle Breakdown in the Orbital-Selective Mott Phase

The orbital-selective Mott phase (OSMP) is commonly described as a coexistence of localized and itinerant electrons within effectively decoupled orbitals, but emerging evidence for quasiparticle breakdown points to physics beyond this picture, whose microscopic origin remains unknown. Using dynamical mean-field theory for the two-band Hubbard model, we show that the spin-flip and Ising-type components of Hund's coupling generate local spin excitations (LSEs). These LSEs couple electrons between different orbitals, renormalize quasiparticle lifetimes and binding energies, and thereby destroy well-defined quasiparticles in the OSMP. Removing these two components of Hund's coupling restores coherent quasiparticle behavior and fully decouples the charge dynamics of the two bands. Our results therefore identify electronic coupling to LSEs as the fundamental mechanism driving quasiparticle breakdown within the OSMP.
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All authors Yuekun Niu, Yu Ni, Jia-Ming Wang, Zhong-Yi Lu, Yun Song, Shiping Feng

Strongly Correlated Electrons

Strongly Enhanced Charge-Density Waves and Correlated Insulating State in Atomically Thin 1$T$-TaS$_2$

We investigate thickness-dependent charge-density-wave (CDW) transitions in 1$T$-TaS$_2$ using temperature-dependent Raman spectroscopy and electrical transport. Raman measurements show that the incommensurate, nearly commensurate, and commensurate CDW phases persist down to the monolayer limit. As the thickness is reduced, the transition temperatures increase, accompanied by an orders-of-magnitude rise in sheet resistance and a sharp reduction in the carrier localization length. The first-order hysteretic CCDW-NCCDW transition is uniquely absent in the monolayer. Calculations suggest that the enhanced CDW in thin layers originates from strengthened Coulomb interactions due to reduced out-of-plane screening, particularly in the nonlocal component. These findings highlight the cooperative roles of electron correlation, electron-phonon interaction, and interlayer coupling in shaping the ground state and transition dynamics of atomically thin 1$T$-TaS$_2$, opening pathways for engineering correlated phases in two-dimensional CDW systems.
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All authors Gan Liu, Yulu Liu, Qiling Luo, Zhentao Huang, Kenji Watanabe, Takashi Taniguchi, Meiyu Wang, Jinsheng Wen, Yi Lu, Xiaoxiang Xi

Materials Science

Emergent Surface Altermagnetism

Research on altermagnetism has thus far primarily focused on spin-polarized bulk electronic states in magnetic materials. In this work, we advance the field by introducing the concept of surface altermagnetism (SAM), wherein altermagnetic spin polarization emerges at the surfaces of collinear antiferromagnets (AFMs) or altermagnets (AMs). To lay the theoretical groundwork for this phenomenon, we construct a thorough symmetry-based framework that systematically connects bulk spin groups to surface spin groups for both types of systems. Through symmetry analysis, we identify all symmetry-breaking surfaces capable of supporting SAM, identifying 35 for $PT$-symmetric AFMs and 61 distinct cases for bulk AMs. Moreover, we show that 203 collinear spin space groups—including 100 without and 103 with the $[C_2 \Vert P]$ operation—permit the appearance of SAM on the surface of $tT$-symmetric AFMs via the breaking of fractional translational symmetries. The proposed framework is verified using tight-binding models and first-principles calculations, with practical material implementations shown in representative compounds like NaMnP, LiMnAs, and CrSb. Our results establish SAM as a robust, symmetry-protected magnetic state, extending altermagnetic phenomena to material surfaces and paving the way for advanced, field-free spin manipulation in next-generation spintronic technologies.
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All authors Yuzhong Hu, Pan Zhou, Baoru Pan, Songmin Liu, Binchang Zhou, Lizhong Sun

Materials Science

Intra-unit-cell resolved intertwining of multi-$Q$ charge and spin textures in an itinerant skyrmion magnet

The mechanisms stabilizing non-collinear magnetism in centrosymmetric crystals remain unclear, but likely involve spin-spin interactions mediated by itinerant electrons, such as the RKKY interaction. Finite-$Q$ magnetic order may then be accompanied by electronic modulations that are observable using a scanning tunneling microscope. In five successive magnetic phases of GdRu$_{2}$Ge$_{2}$, including two nano-scale skyrmion crystal phases, we show that multi-$Q$ magnetism among Gd 4$f$ spins entails a corresponding multi-$Q$ texture among the Ru 4$d$ orbitals that contribute itinerant electron bands. With atomically-resolved images of each electronic texture's motif, and a simple numerical modeling scheme drawing on the underlying spin structures, we infer their key relationship: The alignment between nearest-neighbor Gd spins tightly correlates with the local density-of-states of the Ru 4$d$ orbitals on the two bond-centered sublattices of the Gd square net. These analyses offer a microscopic view of the atomic-scale intertwining of charge and spin degrees-of-freedom in non-collinear itinerant magnets.
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All authors Christopher J. Butler, Katsuki Nihongi, Haruto Yoshimochi, Nguyen Duy Khanh, Rina Takagi, Tetsuo Hanaguri, Shinichiro Seki

Materials Science · Cross-listed from math-ph

On the synthesis of complete two-dimensional second-gradient continua: Tri-pantographic fabrics

We introduce a notion of completeness for two-dimensional second-gradient elastic continua and propose a microstructural route toward its synthesis. A continuum is said to be complete if the Hessian of the stored energy with respect to the second-gradient variable is locally positive definite, so that every nonzero admissible increment of the placement second gradient is quadratically controlled in the highest-order part of the energy about each configuration. Starting from the Principle of Virtual Work, we derive the constitutive relations, equilibrium equations, and admissible boundary interactions for a broad class of fibrous second-gradient continua whose stored energies depend on fiber stretch, stretch gradients, and curvature. The theory is then applied to several continua motivated by pantographic microstructures. Classical pantographic sheets are shown to be incomplete, while bi-pantographic fabrics enlarge the class of components of the second gradient detected by the energy but remain incomplete. Finally, we formulate a tri-pantographic continuum associated with a proposed three-family architecture and prove that it is complete. The examples illustrate how microstructural architecture influences both the completeness properties of an effective continuum and the pointwise form of its higher-order boundary interactions.
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All authors Casey Rodriguez, Emilio Barchiesi, Simon R. Eugster, Ivan Giorgio, Francesco dell'Isola

Soft Condensed Matter

A floor and a ceiling for the advancing contact angle

Reported maxima of the advancing contact angle scatter from $87^\circ$ to $147^\circ$ in a single systematic study, and liquids on surfaces with static angles as low as $5^\circ$ reach dynamic maxima near $90^\circ$. We show that both observations follow from the hinged motion of the free surface near a moving contact line. The local Stokes solution for a wedge rotating about its contact line has two singular angles of opposite character: at $90^\circ$ the hinged motion generates no wall shear and the rotation is free, and at $\theta_h = 128.73^\circ$, where $\tan 2\alpha = 2\alpha$, a resonance with the $r^2$ eigensolution arrests the rotation through an $r^2 \ln r$ term. Between the two angles lies a band that a transient advancing angle cannot leave while the interface near the contact line remains a quasi-steady wedge. A compilation of 68 liquid-solid systems from nine sources and five configurations confirms the band and its two exits: systems not limited by the apparatus, with $\theta_s \le 40^\circ$, reach $87^\circ$ to $119^\circ$ regardless of chemistry, and every exceedance of $\theta_h$ occurs either where chemistry places the static angle above the band or where the flow leaves the quasi-steady regime. The record of a waterline on a vertical wall exhibits the band within a single unsteady experiment, together with a distinct quieting of the local contact angle at the crossing of $90^\circ$.
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Quantum Gases · Cross-listed from physics.atom-ph

Large anomalous shifts of potassium-39 Feshbach resonances

We report the observation of large anomalous shifts, up to +7.5 G, of the positions of the 33.6 G and 39.9 G Feshbach resonances in potassium-39 atoms confined in a 1063.9 nm optical dipole trap (ODT) at temperatures up to around 35 {\mu}K and trap depths up to about 136 {\mu}K. When the atom cloud is cooled to lower temperatures, by reducing the trap depth of the ODT, the shifts decrease proportionally with trap depth and approach zero at zero depth. We show that the large observed shifts originate from a large differential ac Stark shift between the incoming pair of potassium-39 atoms and the weakly bound Feshbach molecule, which in turn originates from an unexpectedly large dynamic polarizability of the Feshbach molecule. The polarizabilities of the Feshbach molecules extracted from the measured shifts of the 33.6 G and 39.9 G resonances are about four to seven times the sum of the polarizabilities of the two incoming potassium-39 atoms, that is, about four to seven times larger than the usual polarizability of weakly bound Feshbach molecules. The large polarizabilities of the Feshbach molecules are attributed to a near-coincidence between the frequency of the 1063.9 nm ODT laser and the frequency of a molecular transition from the last vibrational level of the lowest triplet a3{\Sigma}+u potential to a vibrational level of the excited b3{\Sigma}+g potential. Other potassium-39 Feshbach resonances we have studied exhibit a zero or very small shift, corresponding to molecular polarizabilities close to the sum of the polarizabilities of the two incoming potassium-39 atoms.
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All authors Ali Zaheer, Mohammed Bouras, Krzysztof Giergiel, Rudolf Grimm, Andrei Sidorov, Peter Hannaford

Statistical Mechanics

Morphology of frozen labyrinths from irreversible threshold dynamics

Majority threshold dynamics, in which each agent adopts the dominant state in a weighted neighborhood, relaxes a binary field toward consensus or stripes. We study what happens when this rule is made irreversible: each agent, interacting through a Gaussian kernel on a lattice, may flip out of its local weighted minority at most once. The reversible form is threshold dynamics of Merriman-Bence-Osher type, an exactly solvable calibration in which interfaces move by mean curvature with closed-form lattice pinning and mobility. Irreversibility changes the outcome. From random initial conditions, the one-flip rule freezes balanced non-consensus labyrinths that reversible relaxation drives away. The patterned regime is a window of initial spin compositions around equal balance, narrowing as the interaction range grows, controlled by a standardized bias whose onset is independent of scale over a fourfold range. The frozen morphology is arrested coarsening: bicontinuous at balance, with a feature width that grows sublinearly and falls below the interaction range at large scales. We determine the mechanism by intervention. Fixing the initial condition while varying the update order shows that the coarse domain layout is deterministic, while the update order enters only in a secondary first-passage race that fine-tunes the wall positions the deterministic dynamics has already set. Those walls are marked by frustration: agents frozen against their own local field. This signature is identically absent from any reversible relaxation, is overwhelmingly interfacial, and carries almost none of the pattern's large-scale shape.
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Wednesday 5 August

Materials Science

Antiferromagnetic Phases in Zr-Fe-Ge Kagome Systems

A wide variety of chemical substitutions in ferromagnetic Kagome systems can lead to diverse magnetic phases with electronic structures suitable for topological or quantum material properties. Here, we study the electronic structure and magnetic orderings using first-principles calculations for the magnetic Kagome compounds ZrFe6Ge6, ZrFe6Ge4, and ZrFe6Ge5. For ZrFe6Ge6, the obtained ground-state magnetic structure is A-type antiferromagnetic (AFM), in agreement with existing experiments. We predicted that the magnetic ground states of ZrFe6Ge4 and ZrFe6Ge5 are collinear A-type bilayer AFM structures with long-period ordering that involves a mix of FM and AFM interlayer orientations. The formation of such long-range magnetic structures appears to be a general feature and is not tied to specific substitutions. The magnetic moments in these systems are largely local and only weakly dependent on the magnetic configuration, with magnitudes in good agreement with available experimental estimates. Neutron scattering experiments, which could provide direct verification of these predictions, are therefore of particular importance.
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All authors Peter Minch, Shiya Chen, Weiyi Xia, Wei-Shen Tee, Yang Sun, Cai-Zhuang Wang, Vladimir Antropov

Materials Science

Low-resistivity nitrogen-doped p-type Cu2O thin films enabled by millisecond flash lamp annealing

Flash lamp annealing (FLA) provides millisecond-scale thermal processing, but its effects on p-type Cu2O and nitrogen-related defects remain poorly understood. Reactively sputtered Cu2O:N films with different nitrogen content were deposited using reactive high-power impulse magnetron sputtering and exposed to a single 1.9 ms FLA pulse at 4.9 - 11.7 J cm-2. Their compositional,morphological, structural, vibrational, electrical, and optical responses were evaluated. WDS showed no statistically significant change in total elemental composition, and XRD confirmed retention of cubic Cu2O. Nitrogen-containing films exhibited surface coarsening, shifts of the Cu2O reflections, and non-monotonic changes in the Raman band assigned to molecular N2. Nitrogen incorporation substantially reduced the as-deposited resistivity. The very low value of 0.045 {\Omega}cm was obtained after FLA at 4.9 J cm-2, whereas higher energy densities markedly increased resistivity. Hall measurements showed increasing mobility but decreasing hole concentration. At high energy densities, the optical band gap of nitrogen-rich films widened. The results define a narrow low-energy processing window with a positive effect on electrical properties, whereas high-energy FLA modifies the structure and optical absorption edge but degrades electrical conductivity.
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All authors Jan Koloros, Pavel Baroch, Thomas Preußner, Matthias Fahland, Michaela Červená, Jiří Rezek

Statistical Mechanics · Cross-listed from physics.chem-ph

Next Generation of Ultra-Coarse-Graining: Self-Consistent Inference of Critical Internal States

Bottom-up coarse-graining expands the length and time scales accessible to molecular dynamics (MD) simulations, but information loss can hinder accurate representation of multistate phenomena in complex biomolecular dynamics. Ultra-Coarse-Graining (UCG) projects discrete "quantum-like" extended degrees of freedom, or "internal states," onto coarse-grained (CG) molecules, extending CG model expressiveness. The rapid-local-equilibrium (RLE) approximation in UCG depends on user-defined collective variables (CVs, e.g., local density) and neglects correlations between internal states within and between CG molecules. We present Self-Consistent UCG (SC-UCG), which uses the underlying UCG interactions directly to assign internal states without designing CVs in the CG ensemble. During simulation, internal state probabilities are determined self-consistently through graph message passing. We enhance the RLE Hamiltonian with the Bethe approximation and AI-based inference to represent explicit correlations between UCG beads. For force-field training, we develop Multilayer Internal State Consistency (MISC), a machine-learning method derived from relative entropy minimization that avoids iterative sampling of intermediate force fields. We apply SC-UCG to a tetramer exhibiting a second-order symmetry-breaking phase transition from a supercritical racemic fluid to subcritical D-rich and L-rich fluids. SC-UCG captures collective switching of internal states in the subcritical region and recapitulates the phase transition across temperatures, despite being trained on a single-temperature dataset.
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Materials Science

Fine-Tuning Small Language Models for Reliable VASP INCAR Generation

Language models can prepare VASP INCAR files from natural-language requests, but so far only large proprietary cloud models come close to handling the tightly coupled, physics-sensitive settings reliably, a dependence that fits poorly with local, high-throughput materials workflows where privacy, cost, and offline deployment matter. We show that a small language model (SLM) can close this gap. The SLM is fine-tuned on reference VASP calculations and paired with VASPGuard, a deterministic post-processor that checks syntax, workflow, and material-dependent constraints; we call the combined model INCAR-SLM. On INCARBench, a benchmark for VASP INCAR generation, INCAR-SLM built on Qwen3-4B outperforms every general-purpose LLM evaluated, exceeding GPT-5.4 by 15.55 points on the 100-point INCAR Score. Most of this gain comes from fine-tuning, with VASPGuard correcting the errors that remain. We further find that model size matters less than expected: once fine-tuning and post-processing are applied, performance saturates at a few billion parameters, and Qwen3-4B outperforms larger models in the same family.
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All authors Xinyue Zhang, Jixiang Li, Bin Shao, Baishun Yang, Zhiyang Liu, Weichao Wang

Statistical Mechanics

Superfluid helium

We are interested in modelling superfluid helium-4, the common isotope of helium, of atomic number 4. We present a mathematically solvable toy model of the phase transition between the normal liquid and superfluid phases and use it to show how an order parameter can be obtained for the superfluid.
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Materials Science

Nitrogen Vacancy Centers in Hexagonal Diamond Exhibit Long Coherence Times

We show that negatively charged nitrogen-vacancy (NV) centers in the hexagonal diamond polymorph lonsdaleite offer a route to spin qubits with enhanced coherence relative to their cubic-diamond counterparts. Using first-principles calculations, we examine two distinct defect configurations, AA, with the same symmetry as in cubic diamond and AB, with reduced symmetry. We find that the AB configuration of the NV center exhibits a finite transverse zero-field splitting, giving rise to an approximate fourfold enhancement of the Hahn-echo coherence time $T_2$ at zero magnetic field. The AA configuration, by contrast, closely reproduces the electronic structure and coherence properties of the cubic NV center. We further characterize the many-body electronic structure, vertical excitation energies, and photoluminescence spectra of both configurations, providing spectral fingerprints for their experimental identification. Our results establish symmetry-broken NV centers in lonsdaleite as promising candidates for quantum sensing and information science applications.
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All authors Gabriel Kumar, Siyuan Chen, Victor Wen-zhe Yu, Giulia Galli

Mesoscale and Nanoscale Physics

Topological Charge-Transfer Excitons

Excitons possess internal structure absent from single-particle Bloch particles, allowing their band topology to emerge from the bound-state structure rather than being inherited from their constituents. This raises the question of how the internal structure of a bound state can provide a microscopic origin of exciton topology. Here we show that the real-space embedding of charge-transfer excitons can generate an intrinsic manifold of symmetry-related off-site composite orbitals whose coupling supports topological exciton bands. Lateral electron-hole separation embeds the localized exciton on the bond connecting its constituent sites rather than on either site. We demonstrate this mechanism in a honeycomb lattice, where three bond-centered charge-transfer exciton orbitals form a Kagome lattice. By solving the Bethe-Salpeter equation, we show that this emergent multi-orbital manifold supports a topological exciton flat band upon time-reversal symmetry breaking, even when the electron and hole bands are topologically trivial. The resulting band exhibits nearly uniformly distributed quantum geometry, favorable for interaction-driven bosonic states. Our results establish a general route toward topological bands of localized composite bound states and unconventional strongly correlated bosonic phases.
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All authors Huiyuan Zheng, Kaijie Yang, Ting Cao, Di Xiao

Superconductivity

Kinetic Lifshitz invariants and dynamics of nonreciprocal fluctuations in superconductors

We derive the generalized time-dependent Ginzburg-Landau theory of a disordered noncentrosymmetric superconductor from the Keldysh nonlinear sigma model, using a two-dimensional electron gas with Rashba spin-orbit coupling and an in-plane Zeeman field as a minimal model. On the thermodynamic side we construct the Lifshitz invariants of the free energy, the linear and cubic gradient terms and the momentum-odd part of the quartic vertex, and trace their dependence on disorder. These couplings are governed by a single closed-form kernel controlled by the ratio of the Dyakonov-Perel spin-relaxation rate to temperature, interpolating between the weak-relaxation regime, where the invariants are suppressed, and the relaxation-dominated regime, where the helical modulation of the order parameter saturates at a universal, disorder-independent value. This crossover reconciles conflicting results for the magnetoelectric couplings of dirty Rashba superconductors. Because the theory is formulated on the Keldysh contour, it also determines the dissipative dynamics: the relaxation rate of a fluctuation with pair momentum $\mathbf{q}$, and hence, by the fluctuation-dissipation theorem, the Langevin noise power, acquires a term odd in $\mathbf{q}$ and odd in the magnetic field. The structure of this kinetic Lifshitz invariant is dictated by Onsager reciprocity: friction and noise renormalize in lockstep, so equal-time fluctuations remain Gibbsian while the dynamics are nonreciprocal. As applications we compute the superconducting diode efficiency near $T_c$, where the cubic invariant competes with the quartic vertex and with even higher-gradient terms rendered odd by the helical shift, reversing the sign of the diode coefficient, and the fluctuation-induced magnetochiral anisotropy above $T_c$, where the current-resolved nonreciprocal resistance forms a plateau across the Gaussian regime.
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All authors Tony Liu, Joaquim Telles de Miranda, Daniel Shaffer, Alex Levchenko

Materials Science

Cooperative adsorption and diffusion trapping induced by AlF3 intercalation in graphite

Graphite's structural and electronic response to molecular intercalation is central to its performance as a carbon-based electrode material, yet the microscopic coupling between subsurface intercalation and surface adsorption remains poorly understood. We present a first-principles investigation of AlF3 adsorption and intercalation in graphite to explain the microscopic origin of a recently observed two-step self-limiting sorption mechanism. Using density functional theory (DFT-D3), we show that a single intercalated AlF3 molecule locally transforms the structure, electronic properties, and diffusion behavior of graphite through a blister-like surface deformation. Comparing pristine graphite with a graphite surface containing a subsurface intercalated molecule, coverage-dependent adsorption energetics reveal a crossover from repulsive lateral interactions to cooperative binding above the blister, driven by local curvature and intercalation-induced charge redistribution. Diffusion-barrier calculations show that the blister simultaneously acts as a kinetic trap, raising diffusion barriers and transitioning surface mobility from a quasi-barrierless to a thermally activated regime. Charge-density difference and Mulliken population analyses identify the intercalant as a stable electronic reservoir that deepens the surface potential landscape, kinetically immobilizing adsorbed species. Together, these results establish a structure-property relationship for intercalation-induced deformation in graphite, offering a quantitative framework for controlling intercalation efficiency in carbon-based energy storage and conversion systems.
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All authors H. Betancourt-Infante, G. Ruano, F. Bonetto, S. J. Rodríguez-Sotelo

Quantum Gases · Cross-listed from quant-ph

Identifying slow relaxation in many-body quantum systems through state-graph geometry and state-graph heterogeneity

We adapt tools from the theory of quantum random walks to investigate slow relaxation dynamics through the many-body state graph. Specifically, we construct a probe of heterogeneity between basis states defined using hitting times derived from the unitary time-evolution operator. We find that the state-graph geometry, encoded by the pairwise hitting time of basis states, is a highly sensitive indicator of slow relaxation dynamics in a variety of systems. We study three paradigmatic models: the Rosenzweig-Porter model, the quantum East model, and the triangular lattice gas model, exhibiting a sudden onset of slow dynamics upon tuning of a control parameter. As a global characterization of the graph geometry, we analyze the spectral radius of the hitting matrix. We find that it increases sharply at the onset of slow dynamics, spanning many orders of magnitude, with a characteristic crossing point at the transition. Our work provides a geometric framework for describing and identifying phases with slow relaxation using a unified graph-theoretic formalism.
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Strongly Correlated Electrons

Self-dual $S_3$ gauge theory in 2+1d: lattice model and topological phase transitions

Electric-magnetic self-duality of the $\mathbb{Z}_2$ gauge theory, realized microscopically as a half-lattice-translation exchanging electric charge and magnetic flux, has been an influential example of a duality symmetry with an exact lattice realization. We construct the first non-Abelian generalization of this construction: a lattice model of the $S_3$ quantum double $\mathcal{D}(S_3)$ on a tensor product Hilbert space in which the $\mathbb{Z}^{\mathrm{em}}_2$ anyon-permutation symmetry, exchanging the non-Abelian chargeon $C$ and fluxon $F$, is realized via lattice translation. Consequently we find that the zigzag boundary termination of the model realizes, without fine-tuning, a gapless critical edge state described by the tetracritical Ising CFT. The bulk admits three independent $\mathbb{Z}_2^{\mathrm{em}}$-preserving bosonic perturbations, driving $\mathcal{D}(S_3)$ into distinct gapped phases. We analyze these transitions by three independent methods: category-theoretic anyon condensation, microscopic lattice Hamiltonians, and Chern-Simons-Higgs theory, which all agree, yielding a unified picture. These examples motivate a minimal-condensation principle: proliferating a bosonic anyon generically drives condensation of a minimal condensable algebra containing it, with symmetry-related condensates appearing as degenerate vacua that spontaneously break the anyon-permutation symmetry. Our model construction extends to an infinite family of self-dual dihedral quantum doubles $\mathcal{D}(D_{2n})$. Notably, each model is sign-problem-free, opening the door to large-scale numerical exploration of the phases of non-Abelian Chern-Simons-Higgs theories.
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Disordered Systems and Neural Networks

Entangling power of neural networks

Characterizing the complexity of correlations between subsystems is a fundamental task across information theory, machine learning, and science. In quantum physics, neural networks have found increasing application in learning wavefunctions. Here we introduce the entangling power of an encoder-decoder neural network, which quantifies its ability to generate entanglement between subsystems, dependent on a latent space dimension $K$ and the complexity class of the decoder. We exactly calculate this quantity for polynomial decoders of degree $p$ acting on a $K$-dimensional latent space. Our results establish the exponential entangling power of neural networks with modest resources. More broadly, our work provides a framework for analyzing correlations in machine learning that generalizes the notion of the Schmidt rank in entanglement theory.
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Quantum Gases

Exact statistical transmutation of quantum mixtures on a ring

One-dimensional strongly repulsive quantum mixtures exhibit non-trivial exchange statistics arising from the interplay between orbital and spin degrees of freedom. Using an exact solution, we demonstrate that in the single-impurity limit the wavefunction of Fermi-Fermi and Bose-Bose mixtures on a ring threaded by an artificial gauge field display exact anyonic statistics under exchange of the impurity with the majority particles. The resulting fractional exchange phase is fixed by the angular momentum sector selected through the applied flux. We find that the impurity momentum distribution coincide exactly with the anyonic one, independently of the bosonic or fermionic nature of the mixture, with the large-momentum tails encoding a direct signature of the anyonic statistical angle. Finally, we devise a quench protocol for reversible dynamical anyonization. Our results provide a path for realizing and manipulating anyonized states with ultracold atoms.
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All authors Wayne J. Chetcuti, Nathan Goldman, Patrizia Vignolo, Anna Minguzzi

Statistical Mechanics

Theory of Measurement-Altered Criticality

Local measurements can alter long-range correlations in gapless quantum matter. We propose a theory of weakly-monitored Tomonaga-Luttinger liquids, a broad class of quantum critical states in one dimension. In order to address the intrinsic randomness of the measurement record, we develop a replica instanton calculation to study Born-averaged observables. We find that when measurements are relevant, average correlators of density and phase fluctuations decay at long distances as universal power laws with logarithmic corrections, a feature we argue is peculiar to measurement-induced randomness. We characterize the full multifractal spectrum of moments of correlations functions, revealing broad, strongly non-gaussian fluctuations across the ensemble of post-measurement states. We support these analytic results with matrix-product-state calculations, and provide a general picture of measurement-altered criticality for ground states described by 1+1d conformal field theories. Our results establish that physical measurements alter critical quantum states in a manner that lies beyond both forced measurements and conventional critical scaling.
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Materials Science · Cross-listed from hep-ph

First-principles upper bounds on dark matter-electron scattering rates from condensed matter sum rules

A wide variety of condensed matter systems are used or proposed as detectors to search for dark matter-electron scattering. In general, the scattering rate depends on detailed knowledge of the electronic properties of these systems. However, when dark matter couples to electron density, the dark matter-electron scattering rate can be related to the electron energy loss function, whose integrals are bounded by first-principles sum rules that rely on only a few macroscopic target properties. In this paper, we use these first-principles sum rules to derive upper bounds on the dark matter-electron scattering rate depending on only a few material properties: the plasma frequency $\omega_\text{p}$, the target mass density $\rho_T$, and the static (longitudinal) dielectric function at finite momentum transfer, $\varepsilon(q, 0)$. The bulk material properties $\omega_\text{p}$ and $\rho_T$ vary only over a limited range across a wide variety of materials, and to a good approximation, the generic large-$q$ dependence of $\varepsilon(q, 0)$ can be understood from a simple scaling law depending only on $\omega_\text{p}$ which we verify with analytic and numerical examples. Thus, our upper bounds are largely material-agnostic, and place a fundamental limit on the sensitivity of any dark matter-electron direct detection experiment probing the coupling to electron density.
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All authors Bradford A. Barker, Jay Epstein, Luke James, Yonatan Kahn, Elizabeth A. Peterson, Anirudh Prabhu, Tanner Trickle, Samuel L. Watkins

Strongly Correlated Electrons

Superconducting and charge-ordered phases from Dirac quantum spin liquids on the triangular lattice

Triangular-lattice quantum spin-liquid insulators are observed to undergo transitions to superconductivity under pressure or doping, and exhibit enhanced terahertz conductivity when driven by mid-infrared light. We present a general theoretical framework for the emergence of superconducting and charge-ordered phases from a U(1) Dirac spin liquid with fermionic spinons, as well as from its gapped $\mathbb{Z}_2$ and chiral descendants. Numerical studies have provided substantial evidence for these spin-liquid states. The spin-liquid phase hosts fractionalized Dirac spinons coupled to an emergent gauge field, whereas the superconducting and charge-ordered phases are conventional, with neither fractionalized excitations nor emergent gauge dynamics. The transition between these phases is driven by the Higgs condensation of spinless charge-$e$ bosonic chargons (“doublons” and “holons”). We show that the projective symmetry group of the Dirac spinons uniquely determines the symmetry and dispersion of the chargons, allowing us to construct an effective low-energy theory near the chargon band minima. Gauge-invariant composites of the chargon Higgs fields provide the order parameters characterizing the phases. The resulting phase diagram contains a rich variety of ordered states, including $d+id$ superconductivity, charge-density waves, bond-density waves, and pair-density waves.
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All authors Andreas Feuerpfeil, Ronny Thomale, Subir Sachdev, Pietro M. Bonetti

Materials Science · Cross-listed from cs.AI

Agentic self-driving microscopy benchmarks support qualification but do not necessarily generalize to unseen tasks

Large language model agents are increasingly being developed to control a wide range of scientific characterization tools including microscopes and synchrotron beamlines. Research into agentic control of physical infrastructure is nascent and there are few well-established paradigms for how to engineer an agentic system. There are many choices to make when designing a microscopy agent, including the choice of LLM, the number of agents to use, agent responsibilities and delegation rules, retrieval-augmented generation parameters, and more. When designing and optimizing an agentic microscope controller, researchers not only want to ensure that the agent can correctly perform known tasks but also that the agent can generalize to new tasks that it has not encountered before. In this study, we develop a benchmark and trace-logging framework that reveals a) how different choices of agent architecture impact performance at microscopy tasks and b) the limitations of benchmarks for predicting if a particular agent will perform well on unseen microscopy tasks. The framework was used to evaluate one-, two-, and three-agent graph topologies, five LLMs, RAG and context parameters, and operational constraints across 53 microscopy benchmark tests. In total, 105 agent configurations, 1,949 individual test runs, and 49,109 RAG retrievals were recorded. Direct comparisons showed clear differences in latency, token use, cost, and failure mode between configurations. However, surrogate models trained on agent architecture and test results did not reliably predict an agent's performance on new, unseen tasks. These results show that these benchmarks are useful for qualification, regression testing, diagnosis, and direct comparison, but the current heterogeneous test suite does not support a task-independent global configuration model.
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Statistical Mechanics

Nucleation beyond Equilibrium: Fronts Control Invasion in Bistable Ecosystems

Bistability, the existence of two alternative stable states with distinct basins of attraction, is common across ecology and many other biological, chemical, and physical systems. In spatially extended systems, the invasion of one state by the other proceeds through nucleation, the fluctuation-driven growth of a droplet beyond a critical size. Classical Nucleation Theory (CNT) quantifies this process using the energy landscape, but this description relies on detailed balance, the condition of microscopic reversibility that holds at equilibrium. Ecological dynamics generally violate detailed balance and are described not by a single scalar field but by several coupled, non-conserved abundances–a vector order parameter–for which no general nucleation theory exists. Here we derive such a theory for reaction-diffusion systems with a non-conserved vector order parameter, valid both close to the binodal, where invasion proceeds through propagating fronts, and close to the spinodal, where the metastable state loses stability. Extensive numerical computations of the quasipotential confirm the theory in both regimes. We show that the mathematical structure of CNT survives out of equilibrium, once energetic quantities are replaced by dynamical properties of fronts: the front speed plays the role of the bulk free-energy difference between phases, and the diffusivity that of the surface tension. Applied to the two-species Lotka-Volterra model, an archetypal system of bistable ecological antagonism, our theory shows that strong interspecific competition generates a pronounced depletion region within fronts, where the total abundance falls well below carrying capacity. This vectorial structure, invisible to a scalar description based on species frequency alone, makes invasion exponentially harder as competition strengthens at fixed competitive advantage–a prediction testable in microbial systems.
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Quantum Gases

Observing the emergence of a velocity hierarchy in matter waves

Classical waves in dispersive media naturally exhibit distinct phase and group velocities. Whether an analogous separation of velocities can emerge in matter waves under strong many-body interactions has remained experimentally unexplored. Here, we demonstrate the emergence of a velocity hierarchy in a strongly interacting lattice gas. Using quench spectroscopy together with time-resolved correlation measurements, we independently determine the sound, group, and phase velocities across the superfluid-to-Mott-insulator transition. These velocities are nearly degenerate close to the transition, but progressively separate as the Mott gap opens and the quasiparticle dispersion acquires a massive relativistic-like form. Strikingly, phase-coherence fronts propagate faster than the Lieb-Robinson velocity scale while remaining fully consistent with locality. The measured velocities satisfy a relativistic-like invariance relation in the insulating regime. Our results establish propagation-velocity hierarchies as emergent signatures of strongly correlated quantum dynamics.
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All authors Xudong Yu, Wenhan Chen, Igor Zhuravlev, Yi Zeng, Sudipta Dhar, Milena Horvath, Thierry Giamarchi, Laurent Sanchez-Palencia, Manuele Landini, Hanns-Christoph Nägerl, Yanliang Guo