Materials Science
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
Rohit Rana, Eric R. Heller, Antonios M. Alvertis et al. (+2 more)
We construct a many-body model
Hamiltonian to capture how
phonons renormalize
exciton binding as a function of temperature. By using the GW approximation and density functional perturbation theory, we are able to parameterize this
Hamiltonian completely from first principles. To capture static quasiparticle properties non-perturbatively, we evolve this
Hamiltonian in imaginary time with path integral Monte Carlo using an influence functional based approach. For a class of Wannier-Mott type
excitons, our binding energies are in quantitative agreement with experiment. We find that in addition to long-range dipolar interactions from longitudinal optical modes, short-ranged deformation potentials from acoustic modes and transverse optical modes can significantly renormalize electron and hole polaron binding energies at elevated temperature. However,
exciton binding energies are only appreciably renormalized by coupling to optical
phonons.
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All authors Rohit Rana, Eric R. Heller, Antonios M. Alvertis, Jeffrey B. Neaton, David T. Limmer
Materials Science
Origin of the tetragonal-to-hexagonal phase transitions in Fe-doped BaTiO$_3$
Zhiyuan Li, Ruiwen Xie and Hongbin Zhang
Based on detailed first-principles calculations, we investigate the tetragonal-to-hexagonal phase transition in Fe-doped BaTiO$_3$. Free energy calculations confirm a crossover from the tetragonal to hexagonal phases at 2.7–6% Fe on cooling from the sintering temperature, in agreement with experimental observations, where comparative calculations show that neither CaTiO$_3$ nor SrTiO$_3$ exhibits similar behavior under equivalent substitution. Furthermore, three possible mechanisms are quantified: oxygen vacancies shift the crossover concentration from 2.7–6% to 1.1–4.7%, Jahn-Teller distortions are confined to the tetragonal phase, both favoring tetragonal-to-hexagonal phase transitions; whereas the tolerance factor is reduced in comparison with that of pristine BaTiO$_3$ for reasonable Fe valence states, disfavoring the occurrence of the hexagonal phases. Detailed analysis on the electronic structure reveals that the charge redistribution induced by oxygen vacancy is strongly orbital dependent, the added charge entering the $d_{z^2}$ orbital.
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Mesoscale and Nanoscale Physics
Magnetic Weyl semimetals: Interplay of band topology and magnetism
Akihiro Ozawa, Yasufumi Araki, Koji Kobayashi et al. (+1 more)
We review recent theoretical and experimental developments in
magnetic Weyl semimetals, focusing on the electromagnetic responses emerging from the interplay of their electronic band
topology and magnetism. We begin by introducing the fundamental topological properties of the electrons in Weyl semimetals, and provide an overview of the characteristic phenomena arising from their band
topology, such as the anomalous
Hall effect and
chiral magnetic effect. The materials exhibiting the
magnetic Weyl semimetal state, with
ferromagnetic ordering,
antiferromagnetic ordering, etc., are listed. The possible mechanisms for their magnetism are discussed in connection with the Weyl electrons. Non-uniform
magnetic textures and magnetization dynamics are expected to exhibit a topological interplay with the Weyl electrons, manifesting as spinmotive force and
spin torques. We also review the magnetotransport phenomena such as domain wall magnetoresistance, studied by mesoscopic scale calculations. Finally, we mention the
spin transport properties studied in
magnetic Weyl semimetals. The topological nature of Weyl electrons reviewed here is important not only for fundamental physics, but also for the potential application to low-dissipative electronics and spintronics devices.
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All authors Akihiro Ozawa, Yasufumi Araki, Koji Kobayashi, Kentaro Nomura
Statistical Mechanics
Geometric Thermodynamics of Cycles: Curvature and Local Thermodynamic Response
Eric R. Bittner
Classical thermodynamics contains familiar
geometric relations associated with cyclic processes, most notably the identification of mechanical work with the area enclosed by a trajectory in the $(P,V)$ plane. We show that the area laws for work and reversible heat arise as projections of a single canonical two–form defined on the
equilibrium thermodynamic
manifold, providing a unified description of thermodynamic cycles in both the $(P,V)$ and $(T,S)$ representations. The same structure yields a direct link between cycle geometry and thermodynamic response: the work generated by infinitesimal cycles is set locally by the mixed
curvature $U_{SV}$ of the
equilibrium energy surface, which can be expressed in terms of measurable susceptibilities. This identifies thermodynamic work as a local
geometric field over state space rather than solely a global property of cyclic processes. More broadly, the framework connects classical cycle geometry to
stochastic thermodynamic trajectories, providing a
geometric interpretation of nonequilibrium work relations such as the Jarzynski equality.
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Materials Science
LPC3D: An Enhanced Parallel Software for Large-Scale Simulation of Adsorption in Porous Carbons and Supercapacitors
El Hassane Lahrar, Mathieu Salanne, Rudolf Weeber et al. (+1 more)
Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed at the microscopic scale, using molecular dynamics. Such simulations provide crucial information to understand the adsorption of ions and the effect of confinement on some electrochemical properties. However, their computational cost limits the size of the systems studied to a few nanometers and a few pores while experimental materials are highly heterogeneous with a distribution of particle and pore sizes. LPC3D is a software designed for mesoscopic simulations of porous carbon particles and carbon-based supercapacitors which allow for the inclusion of such heterogeneity. The code calculates quantities of adsorbed ions,
diffusion coefficients and NMR spectra of ions / molecules adsorbed in porous carbon
matrices. In this work, we report on a new implementation of LPC3D, written in Python using the PyStencils module which can generate optimized C++ and CUDA code. This implementation is parallel, can be run on CPU and GPU, and allows one to simulate systems going from a single carbon particle to a supercapacitor with hundreds of micrometers in length. Here, we apply the new implementation of LPC3D to the simulation of supercapacitors with porous carbon electrodes represented as monoliths or carbon films to investigate the influence of the microstructure on the resulting adsorption and spectroscopic properties.
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All authors El Hassane Lahrar, Mathieu Salanne, Rudolf Weeber, Céline Merlet
Materials Science · Cross-listed from quant-ph
Development of Biphoton Entangled Light Spectroscopy (BELS) using Bell pairs
V. V. Desai and N. P. Armitage
We introduce Biphoton
Entanglement Light Spectroscopy (BELS), a
quantum spectroscopic technique that employs polarization entangled Bell pairs and two
photon interference to probe material properties. In BELS, the measured signal arises not from single
photon intensities but from changes in the joint polarization and path correlations of biphoton Bell pairs transmitted through or scattered by a sample and analyzed via cross channel coincidences. A key concept of BELS is the explicit mapping between Jones
matrix operations and transformations within the Bell state
manifold. Optical elements that are equivalent under classical polarization optics can produce qualitatively distinct signatures in the coincidence landscape when interrogated with entangled
photons. We demonstrate that linear birefringence and Faraday rotation generate orthogonal admixtures of Bell states, yielding experimentally distinguishable coincidence channels within a single measurement. We measure birefringence in an anisotropic dielectric and Faraday rotation in $\text{Tb}_3\text{Ga}_5\text{O}_{12}$. By mapping the changes to the photonic
entanglement, BELS establishes a new framework for future
entanglement enhanced spectroscopy, a potentially powerful approach in characterizing
quantum materials, nanophotonic devices, and light matter interactions perhaps eventually at a fundamentally
quantum level.
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Materials Science
AI-supported Degradation Study of Carbon-based Perovskite Solar Cells: Learning the Device Physics of Perovskite Solar Cells: A Drift-Diffusion Guided Autoencoder Approach
Oliver Zbinden, Sharun Parayil Shaji and Wolfgang Tress
Carbon-electrode-based PSC devices are stressed under 1 Sun equivalent illumination in a stability setup, and different scan-speed dependent current-voltage (J-V) curves are measured during aging. The collected data is used to estimate several physical parameters that contain information about charge transport and recombination using Machine Learning (ML), which allows for in situ tracking of possible signs of degradation. These results are compared to what can be classically interpreted by analysing changes in J-V curves, and the
evolution of the predicted parameters is studied. The predictions are then used to simulate a digital twin of the measured devices, and their physical implications and the differences between measurements and devices are discussed.
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Mesoscale and Nanoscale Physics
Cotunneling theory and multiplet excitations: emergence of asymmetric line shape in inelastic scanning tunneling spectroscopy of correlated molecules on surfaces
Marco Lozano, Manish Kumar, Pavel Jelinek et al. (+1 more)
Recent advances in on-surface chemistry, combined with scanning probe microscopy, have enabled the synthesis of correlated molecules on surfaces and the characterization of their chemical and electronic properties with unprecedented spatial resolution. Low-energy
magnetic excitations of individual molecules are frequently investigated by scanning tunneling spectroscopy (STS) and often appear as symmetric step-like features in the differential conductance as a function of bias voltage. The interpretation of such steps is well established within cotunneling theory and effective model
Hamiltonians (e.g., Hubbard- and
spin-based models). Here, we extend the cotunneling formalism to general multireference systems. We show that multireference character, together with orbital-dependent and strongly asymmetric tip/substrate couplings, can produce pronounced asymmetric line shapes in inelastic STS. These results provide an alternative microscopic mechanism for the asymmetric peaks and dips near the
Fermi level frequently observed in STS experiments.
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All authors Marco Lozano, Manish Kumar, Pavel Jelinek, Diego Soler-Polo
Materials Science
Chirality Cannot Be Ferroic in Enantiomorphic Space-Groups
F. Gómez-Ortiz, S. Mamoudou Taganga, E. E. McCabe et al. (+2 more)
With growing interest in structural chirality in periodic solids, it has been suggested that chirality might constitute a new ferroic order parameter. In this work, we demonstrate, by means of a formal group-theoretical proof and a systematic group-subgroup analysis, that achiral-to-
chiral transitions that produce either member of an enantiomorphic pair cannot be driven by a Brillouin-zone-center ($\Gamma$-point) instability from a common achiral parent. We further substantiate this result by explicitly showing that none of the achiral parent space groups that admit
symmetry-
chiral phonon eigenvectors host them at the zone center. Given that a primary ferroic order parameter must, among other requirements, transform according to a zone-center irreducible representation, we conclude that phase transitions leading to enantiomorphic space groups cannot be classified as primary ferroic transitions. This predicts that any critical enhancement of fluctuations must occur at finite-$q$ rather than as a divergence of a uniform macroscopic susceptibility.
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All authors F. Gómez-Ortiz, S. Mamoudou Taganga, E. E. McCabe, A. H. Romero, E. Bousquet
Materials Science
Electrochemical and thermal control of continuous phase transitions in P2-NaxNi1/3Mn2/3O2
Dylan A. Edelman, John Cattermull, Jue Liu et al. (+7 more)
Sodium layered
oxides often undergo phase transformations involving ordering or disordering of Na+ upon desodiation, i.e., when cycled as a battery electrode. Accurately characterizing these phases is crucial for understanding functional properties, such as chemical diffusivity. In this work, we reveal that Na+-vacancy (dis)ordering in a layered
oxide is intrinsically coupled to
symmetry-changing phase transformations of the host structure. We examine the low-
symmetry orthorhombic unit
cell of P2-NaxNi1/3Mn2/3O2 (NNM) using both
neutron and X-ray diffraction. Specifically, special sodium stoichiometries (x = 2/3 and 1/2) exhibit concomitant Na+-vacancy ordering and an orthorhombic distortion from the parent hexagonal unit
cell. We then demonstrate that electrochemical desodiation drives
symmetry-changing transformations in NNM that are linked to Na+-vacancy (dis)ordering, with evidence of second-order behavior observed near x = 2/3. Variable-temperature synchrotron X-ray diffraction further clarifies the coupling between Na+-vacancy disordering and orthorhombic-to-hexagonal phase transitions in NNM. Surprisingly, the temperature-driven phase transitions at x = 2/3 and 1/2 differ in character, appearing second-order and first-order, respectively. Our analysis of the phase transitions in NNM has fundamental consequences for sodium chemical diffusivity in the vicinity of the ordered phases and leads to design principles for modifying phase transition behavior in the broader class of intercalation electrodes.
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All authors Dylan A. Edelman, John Cattermull, Jue Liu, Zhelong Jiang, Hari Ramachandran, Edward Mu, Cheng Li, Anton Van der Ven, Katherine J. Harmon, William C. Chueh
Strongly Correlated Electrons
Discovery of BKT correlations in the quantum kagome compound Cs$_2$Cu$_3$SnF$_{12}$
M. S. Grbić, I. Jakovac, I. Kupčić et al. (+2 more)
We investigate the microscopic properties of the kagome compound Cs$_2$Cu$_3$SnF$_{12}$ using $^{63,65}$Cu
nuclear quadrupolar resonance (NQR). Analysis of the local hyperfine fields below the Néel temperature $T_N = 20$ K indicates a
spin structure consistent with $P2_1/n$
symmetry of negative vector chirality. Measurements of the
spin-
lattice relaxation rate $T_1 ^{-1}$ reveal signatures of a gapless ground state and two-dimensional Berezinskii-Kosterlitz-Thouless (BKT)-type correlations above $T_N$, extending over a broad temperature range of approximately 130 K in zero
magnetic field. Within the same temperature range, the observed increase in the NQR linewidth is consistent with short-range
chiral order recently identified by
neutron scattering. Our results establish Cs$_2$Cu$_3$SnF$_{12}$ as a unique
quantum kagome system exhibiting BKT behavior.
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All authors M. S. Grbić, I. Jakovac, I. Kupčić, H. Tanaka, M. Horvatić
Statistical Mechanics · Cross-listed from quant-ph
Geometric Thermodynamics in Open Quantum Systems: Coherence, Curvature, and Work
Eric R. Bittner
We formulate a
geometric framework for quasistatic thermodynamics in open
quantum systems by parameterizing the dynamics on a control
manifold. In the quasistatic limit, the system follows a
manifold of stationary states, and the work performed over a cycle is given by the flux of a
curvature two-form, $W \sim \int \Omega$, defined by the parametric response of the stationary state, establishing an open-system analog of classical thermodynamic area laws. \erbedit{For thermal stationary states at fixed temperature, the
curvature vanishes, reflecting the integrability of the work one-form.} Beyond this limit, nonequilibrium stationary states can retain coherence in the energy representation; using a fixed-basis Lindblad model, we show that this coherence reshapes the
curvature, making it anisotropic and sign-changing, so that work depends sensitively on the placement and orientation of the cycle.
Quantum coherence, therefore, partitions the control
manifold into regions of opposite
curvature, producing
geometric cancellation of work and allowing the net work over a cycle to be reduced or reversed despite dissipative dynamics. Thermodynamic work thus emerges as a
curvature flux whose structure is set by thermodynamic response in classical systems and by basis misalignment between the
Hamiltonian eigenbasis and the environment-selected pointer basis in open
quantum systems.
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Statistical Mechanics
The damage spreading transition: a hierarchy of renormalization group fixed points
Adam Nahum and Sthitadhi Roy
Deterministic classical cellular automata can be in two phases, depending on how irreversible the dynamical rules are. In the strongly irreversible phase, trajectories with different initial conditions coalesce quickly, while in the weakly irreversible phase, trajectories with different initial conditions can remain different for a time exponential in the system volume. The transition between these phases is referred to as the damage-spreading transition (the "damaged" sites are those that differ between the trajectories). We develop a theory for this transition. In the simplest and most generic setting, the transition is known to be related to directed percolation, one of the best-studied nonequilibrium phase transitions. However, we show that full theory of the damage-spreading critical point is richer than directed percolation, and contains an infinite hierarchy of sectors of local observables. Directed percolation describes the first level of the hierarchy. The higher observables include "overlaps" for multiple trajectories, and may be labeled by set partitions. (These higher observables arise naturally if, for example, we consider decay of
entropy under the irreversible dynamics.) The full hierarchy yields a hierarchy of nonequilibrium fixed points for reaction-
diffusion-type processes, all of which contain directed percolation as a subsector, but which possess additional universal critical exponents. We analyze these higher fixed points using a field theory formulation and renormalization group arguments, and using simulations in 1+1 dimensions.
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Statistical Mechanics
How active field theories couple to external potentials
Yariv Kafri and Julien Tailleur
We study the simplest terms that need to be included in active field theories to couple them to external potentials. To do so, we consider active Brownian particles and implement a systematic perturbative expansion in the particle persistence time. The result is a non-trivial coupling between density and potential gradients, which accounts for the nonequilibrium features of active particles in the presence of an external potential, from boundary accumulation to far-field density modulation. We show how the method can be applied to particles interacting via pairwise forces and to spatial modulations of the propulsion speed.
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Materials Science · Cross-listed from quant-ph
Dicke materials as a resource for quantum squeezing
Vaibhav Sharma, Shung-An Koh, Jonathan Stepp et al. (+8 more)
We study
magnetic materials whose low energy physics can be effectively described by a Dicke model, which we term Dicke materials. We show how a Dicke model emerges in such materials due to a coexistence of fast-dispersing and slow-dispersing
spins, which are strongly coupled. Analogous to the paradigmatic Dicke model describing light-matter interactions, these materials also exhibit signatures of a superradiant phase transition. The ground state near the superradiant phase transition is expected to be squeezed, making Dicke materials a resource for
quantum metrology and witnessing
entanglement in solid-state systems. However, as an
entanglement measure, squeezing can be sensitive to perturbations that are otherwise irrelevant for usual correlation functions and order parameters. Motivated by the prospect of observing squeezing in such Dicke materials, we study the robustness of ground state squeezing under ubiquitous imperfections such as finite temperature, disorder, and local interactions. Using analytical and numerical techniques, we show that the squeezing obtained is perturbatively stable against these imperfections and quantitatively evaluate regimes promising for experimental observation.
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All authors Vaibhav Sharma, Shung-An Koh, Jonathan Stepp, Dasom Kim, Takumu Obata, Yuki Saito, Motoaki Bamba, Han Pu, Hanyu Zhu, Junichiro Kono, Kaden R. A. Hazzard
Materials Science
A family tree for hafnia
Nicolaie Cernov, Jorge Íñiguez-González and Hugo Aramberri
Several candidate reference phases have been proposed to discuss phase transitions and ferroelectricity in hafnia in recent years. Although these proposals comply with crystallographic requirements, a physically compelling rationale connecting parent and daughter phases is often lacking. This problem is aggravated by the absence of clearly dominant polarization switching pathways, making it difficult to formulate a robust physical criterion for identifying the relevant high-
symmetry states. Here we use first-principles calculations to show that pressure provides a simple and robust criterion for establishing physically meaningful family relationships among many hafnia polymorphs, including the monoclinic ground state and the technologically relevant ferroelectric phase, and their respective parent structures. Our simulations also reveal several previously unreported phases, including higher-energy structures that act as common ancestors of the widely discussed cubic and orthorhombic reference phases.
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Mesoscale and Nanoscale Physics · Cross-listed from quant-ph
Boundary Floquet Control of Bulk non-Hermitian Systems
Yu-Min Hu, Yu-Bo Shi, Linhu Li et al. (+5 more)
Boundary perturbations are generally irrelevant for bulk properties in the thermodynamic limit, as they are edge-confined and subextensive. We show that this expectation breaks down in boundary-driven systems exhibiting the non-Hermitian skin effect, where arbitrarily weak boundary Floquet driving reconstructs bulk quasienergy spectra and dynamics. We develop a Floquet non-Bloch band theory that extends generalized Brillouin-zone methods to boundary-driven systems at arbitrary driving frequencies, overcoming the lack of a general framework beyond high-frequency approximations. With representative single- and two-band models, we demonstrate that the boundary driving frequency tunes non-Bloch parity-time
symmetry breaking, while its amplitude acts as a finite-size control parameter. Our work establishes boundary Floquet control as a general route for manipulating bulk properties, opening a new avenue for dynamical engineering in driven open systems.
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All authors Yu-Min Hu, Yu-Bo Shi, Linhu Li, Gianluca Teza, Ching Hua Lee, Roderich Moessner, Shu Zhang, Sen Mu
Statistical Mechanics · Cross-listed from hep-th
Super Sum rules for Long-Range Models
Kausik Ghosh, Miguel F. Paulos, Noé Suchel et al. (+1 more)
We study sum rules that control the Regge limit of one-dimensional conformal field theory (CFT) correlators and relate them to dual bulk scattering processes at high energies in $\mathrm{AdS}_2$. By imposing the condition that no scattering takes place in the bulk, these sum rules single out special solutions to crossing
symmetry that describe long-range models, which can be understood as free fields in AdS with boundary interactions tuned to criticality. We test these sum rules perturbatively in several distinct theories, namely the 1d long-range versions of the Ising, $O(N)$ and Lee–Yang models, and find that they correctly predict the CFT data characterising these theories. Along the way we compute for the first time the leading contributions of quadruple-twist operators to the long range Ising correlator and analyse their role in the new sum rules. Finally, we explore the consequences of imposing these sum rules in a numerical bootstrap framework and find that they lead to substantial reductions in the allowed parameter space.
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All authors Kausik Ghosh, Miguel F. Paulos, Noé Suchel, Zechuan Zheng
Strongly Correlated Electrons
Phases of itinerant anyons in Laughlin's quantum Hall states on a lattice
Tevž Lotrič and Steven H. Simon
We study phases of itinerant anyons when hole-doping Laughlin-like states in fractional Chern
insulators (FCIs). In light of the recent observation of time-reversal-broken superconductivity near FCIs in van der Waals materials, a theoretical understanding of doped fractional
quantum Hall states on a
lattice has been developed by Shi and Senthil [Phys. Rev. X 15, 031069], reviving old ideas about "anyon superconductivity". We test these ideas analytically within an effective parton mean-field theory and numerically with variational Monte Carlo, pointing out that the predicted state depends on whether the Laughlin order at $\nu=1/m$ is described by a U(1), or an SU(m) Chern-Simons field, the latter implying a
symmetry between the m parton species. Our results demonstrate that the interplay between band Berry
curvature and effective anyon dispersion has crucial implications for which anyonic phase is realized. In the experimentally relevant scenario of hole-doping the $\nu=1/3$ fermionic FCI, our results uncover a mechanism for the formation of an anyon superconducting state of half-integer central charge in the case when the energetically cheapest excitations are the fundamental 1/3 charge anyons, bypassing the need for these anyons to pair into charge-2/3 composites, which has generally been assumed in similar anyon superconductivity constructions.
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Statistical Mechanics · Cross-listed from quant-ph
Precision-Induced Irreversibility in non-Hermitian systems
Luis E. F. Foa Torres, G. Pappas, V. Achilleos et al. (+1 more)
Non-Hermitian
evolution is mathematically invertible, yet finite dynamic range imposes a sharp operational limit on reversibility. We identify Precision-Induced Irreversibility (PIR): amplification, mode mixing (as warranted by non-normality), and a finite resolution floor – whether set by numerical precision, detector noise, or environmental fluctuations – conspire to produce a quantitative predictability horizon $T_{\mathrm{of}}$, beyond which distinct states collapse onto identical representations. Within the effective non-Hermitian description, the mechanism requires neither environmental decoherence nor nonlinear dynamics; remove any ingredient and reversibility can be restored. Echo-fidelity tests confirm this transition across arbitrary-precision arithmetic and hardware, revealing where formal invertibility and physical reversibility diverge.
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All authors Luis E. F. Foa Torres, G. Pappas, V. Achilleos, D. Bautista Avilés
Strongly Correlated Electrons
Emergent relativistic symmetry from interacting fermions on the honeycomb bilayer
Zi Hong Liu and Lukas Janssen
We study the phase diagram of interacting spinless
fermions on the honeycomb
bilayer at charge neutrality using large-scale
quantum Monte Carlo simulations. In the noninteracting limit, the low-energy spectrum features quadratically dispersing bands that touch at the corners of the hexagonal Brillouin zone. Weak to intermediate interactions induce a splitting of each of the quadratic band touching points into four Dirac points, located along high-
symmetry directions of the reciprocal
lattice. Strong interactions lead to the formation of a layer-polarized charge density wave, which spontaneously breaks the $\mathbb Z_2$ layer inversion
symmetry and opens an insulating gap in the spectrum. We show that the semimetal-to-
insulator quantum phase transition as a function of interaction is continuous and characterized by emergent relativistic
symmetry. Our results for the values of the correlation-length exponent $\nu$, the order-parameter anomalous dimension $\eta_\phi$, and the
fermion anomalous dimension $\eta_\psi$ agree with those of the theoretically predicted 2+1D Gross-Neveu-Ising universality class with eight two-component Dirac
fermions within less than 5%\ deviation. We also determine the crossover scale as a function of interaction strength between the nonrelativistic semimetal state at high temperatures, characterized by dynamical critical exponent $z = 2$, and the Dirac semimetal state at intermediates temperatures, characterized by $z=1$. Further reducing the temperature below the crossover scale at a fixed value of the interaction strength above the
quantum critical point results in a classical ordering transition in the 2D Ising universality class.
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Materials Science
Characterizing High-Capacity Janus Aminobenzene-Graphene Anode for Sodium-Ion Batteries with Machine Learning
Claudia Islas-Vargas, L. Ricardo Montoya, Carlos A. Vital-José et al. (+3 more)
Sodium-ion batteries require anodes that combine high capacity, low operating voltage, fast Na-ion transport, and mechanical stability, which conventional anodes struggle to deliver. Here, we use the SpookyNet machine-learning force field (MLFF) together with all-electron density-functional theory calculations to characterize Na storage in aminobenzene-functionalized Janus
graphene (Na$_x$AB) at room-temperature. Simulations across state of charge reveal a three-stage storage mechanism-site-specific adsorption at aminobenzene groups and Na$_n$@AB$_m$ structure formation, followed by interlayer gallery filling-contrasting the multi-stage pore-, graphite-interlayer-, and defect-controlled behavior in hard carbon. This leads to an OCV profile with an extended low-voltage plateau of 0.15 V vs. Na/Na$^{+}$, an estimated gravimetric capacity of $\sim$400 mAh g$^{-1}$, negligible volume change, and Na diffusivities of $\sim10^{-6}$ cm$^{2}$ s$^{-1}$, two to three orders of magnitude higher than in hard carbon. Our results establish Janus aminobenzene-
graphene as a promising, structurally defined high-capacity Na-ion anode and illustrate the power of MLFF-based simulations for characterizing electrode materials.
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All authors Claudia Islas-Vargas, L. Ricardo Montoya, Carlos A. Vital-José, Oliver T. Unke, Klaus-Robert Müller, Huziel E. Sauceda
Disordered Systems and Neural Networks
Probing the Spacetime Structure of Entanglement in Monitored Quantum Circuits with Graph Neural Networks
Javad Vahedi and Stefan Kettemann
Global
entanglement in
quantum many-body systems is inherently nonlocal, raising the question of whether it can be inferred from local observations. We investigate this problem in monitored
quantum circuits, where projective measurements generate classical records distributed across spacetime. Using graph neural networks (GNNs), we represent individual
quantum trajectories as directed spacetime graphs and reconstruct the half-chain
entanglement entropy from local measurement data alone. Because information propagates through the network via local message passing, the architecture directly controls the spacetime region over which correlations can be aggregated. By systematically varying this accessible scale – through network depth and hierarchical spacetime coarse-graining – we probe how much measurement information is required to reconstruct global
entanglement. We find that prediction accuracy improves as the accessible spacetime region grows and that results from different architectures collapse when expressed in terms of an effective spacetime scale combining depth and coarse-graining. These results demonstrate that the information required to reconstruct global
entanglement is organized in spacetime scales and show that graph-based learning architectures provide a controlled operational framework for probing how global
quantum correlations emerge from local measurement data.
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Mesoscale and Nanoscale Physics
Supercurrent-Driven Néel Torque in Superconductor/Altermagnet Hybrids
Hamed Vakili, Moaz Ali, Igor Žutić et al. (+1 more)
We predict a supercurrent-driven Néel
spin-orbit torque in a
superconductor/$d$-wave altermagnet
heterostructure, associated with the emergence of
spin-triplet correlations. The effect can be understood as a consequence of the supercurrent-induced
spin polarization, owing to the interplay between
spin orbit coupling and momentum-dependent
spin splitting, as found, for example, in altermagnets. Remarkably, the supercurrent can be tuned by the Néel-vector direction, and the supercurrent-induced torque can both propel
magnetic domain walls and reverse the Néel-vector orientation within a domain wall. These findings establish
superconductor/altermagnet
heterostructures as a versatile platform for the {supercurrent-driven} control of the Néel vector, with potential applications in racetrack
memory, dissipationless superconducting electronics, and unconventional computing.
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All authors Hamed Vakili, Moaz Ali, Igor Žutić, Alexey A. Kovalev
Strongly Correlated Electrons
An Exact Conjugation Identity for the Many-Body Wilson Loop Beyond Quantization
Kai Watanabe
Constraints on unquantized many-body holonomies, such as Wilson loops (or their Berry phases), are less explored than those on their quantized counterparts. Here, we realize an unquantized regime by tuning the bond dimerization $\delta$ and the staggered potential $\Delta$ in a half-filled dimerized staggered Hubbard ring. For the tuned parameter sets, a finite excitation gap persists along the $U(1)$ twist cycle $\theta\in[0,2\pi]$, so that the ground state $|\psi_{\delta}(\theta)\rangle$ remains separated from the excited states. The many-body Wilson loop is therefore well defined from the ground-state family $\{|\psi_{\delta}(\theta)\rangle;\,\theta\in[0,2\pi]\}$. In this setup, we show an exact many-body Wilson loop conjugation identity, $W(-\delta)=W(\delta)^*$, accumulated along a cycle parametrized by $\theta$. Importantly, the identity persists in regimes where the Berry phase $\gamma\equiv-\arg W$ varies continuously. We demonstrate the identity numerically using the density-
matrix renormalization group (DMRG) method. The identity extends to other models where the flux-threaded ground-state family along the closed $\theta$-cycle is mapped to the reversed cycle. Beyond its conceptual content, the identity provides a
symmetry-based consistency check for numerical evaluations of Berry phases in interacting systems. It also justifies the signal-to-noise ratio improvement in Monte Carlo simulations by performing simulations at both $\delta$ and $-\delta$ and averaging $W(\delta)$ with $W(-\delta)^{*}$.
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Materials Science
Universal inverse-cube thickness scaling of projectile penetration energy in ultrathin films
Alessio Zaccone and Tim W. Sirk
Ultrathin films of widely different materials exhibit a dramatic enhancement of projectile penetration resistance under high–velocity impact. Despite extensive simulations and experiments, a unifying physical explanation has remained elusive. Here we show that the thickness dependence of the specific penetration energy obeys a universal law, $E_p^*(h)=E_{p,\infty}^*+B h^{-3}$, independent of chemical composition and degree of disorder. The inverse–cube scaling is traced back to a finite–size correction to the effective shear modulus arising from the suppression of long–wavelength nonaffine deformation modes in confined solids. The scaling quantitatively describes impact data for multilayer
graphene,
graphene oxide, and
polymer thin films, revealing a common elastic origin for nanoscale impact resistance.
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Mesoscale and Nanoscale Physics
Suppression of Superconductivity and Electrostatic Side Gate Tuning in High Mobility SrTiO$_3$ Surface Electron Gas
Dickson Boahen, Sushant Padhye, Gayan De Silva et al. (+2 more)
We report on the fabrication and characterization of patterned high-mobility two-dimensional electron gases (2DEG) formed on SrTiO$_3$ (STO) substrate surfaces by hydrogen
plasma exposure. The resulting devices consistently showed high electron mobilities up to 7400 cm$^2$/V$\cdot$s. A large range of electron density was systematically explored by controlled aging of the sample between cooldowns, including the expected range for the STO 2DEG superconducting dome. No superconducting transition was observed down to the base temperature of approximately 10 mK. This suggests suppression of superconductivity in high mobility quasi-two-dimensional SrTiO$_3$ electron gas, likely linked to vertical confinement and electronic orbital rearrangement. We systematically explored electrostatic gate modulation in this 2DEG system and its scaling with electron density and side gate geometry. In contrast with our initial expectation, we observed an improvement of achievable total modulation for larger side gate to channel separation. At low electron density,
stochastic channel pinch-off events were observed, creating quasi-ballistic constrictions with irregular conductance quantization. This epitaxy-free and high mobility
oxide material platform offers a promising new route towards patterning
quantum devices.
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All authors Dickson Boahen, Sushant Padhye, Gayan De Silva, Eshanvi Rao, Evgeny Mikheev
Superconductivity
Thermodynamic evidence for a pressure-driven crossover from strong- to weak-coupling superconductivity in Pb
Rustem Khasanov
The thermodynamic critical field $B_{\rm c}$ provides direct access to the superconducting condensation energy, yet its pressure dependence has been studied much less extensively than that of the transition temperature. Here,
muon-
spin-rotation/relaxation measurements of the thermodynamic critical field $B_{\rm c}$ of elemental Pb under hydrostatic pressure up to $\simeq2.3$ GPa are reported. From the
magnetic-field distribution in the intermediate state, $B_{\rm c}(T)$ is determined and $B_{\rm c}(0)$ is extracted at different pressures. In combination with previously reported high-pressure data for $B_{\rm c}$ and $T_{\rm c}$, it is shown that the pressure dependence of $B_{\rm c}(0)$ follows that of the superconducting gap $\Delta(0)$ more closely than that of the transition temperature $T_{\rm c}$. At higher pressures, the logarithmic pressure derivatives of $B_{\rm c}(0)$ and $T_{\rm c}$ are found to converge, indicating that the coupling strengths ratio $\alpha=\Delta(0)/k_{\rm B}T_{\rm c}$ becomes nearly pressure independent. This behavior is interpreted as thermodynamic evidence for a pressure-driven crossover from strong- to weak-coupling superconductivity in Pb.
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Soft Condensed Matter
Short-range electrostatic screening in ionic liquids as inferred by direct force measurements
Benjamin Cross, Léo Garcia, Elisabeth Charlaix et al. (+1 more)
Previous experimental reports of long-range interactions in ionic
liquids (ILs) stand in contradiction with theoretical predictions and numerical simulations. To provide insights into the literature discrepancies regarding the experimental ranges of electrostatic screening, claimed with orders of magnitude larger, the interactions between pairs of mica and borosilicate surfaces confining ILs are investigated by two complementary advanced Surface Force Apparatuses. Regardless of differences in confinement geometries (crossed-cylinders, sphere-flat), radii of
curvature (cm-mm), and measurement techniques (stepwise vs continuous approach), two ever present force regimes are evidenced. At small surface separations, oscillatory forces reflect IL structuration and layering, while outside this gap, the interaction is monotonic repulsive. In both regimes the spatial extent and force magnitude depend critically on motion conditions, as demonstrated by achieving velocities as low as 9 pm/s with equilibration times up to 90 s. At large separations, fast surface displacements generate long-range interactions (over tens of ion size) creating the illusion of anomalous underscreening, whereas increasingly slow ones shrink both magnitude and range of the repulsion with decay-lengths converging ultimately to a screening length consistent with Poisson-Boltzmann theory with finite ion sizes. The transition from apparent long-range to short-range screening unfolds over nearly two orders of magnitude in time, revealing slow relaxation dynamics reminiscent of aging phenomena. These findings definitely resolve a decade-old controversy on force measurements and reveal rich out-of-
equilibrium dynamics. The hydrodynamic contribution to the net force is admittedly crucial to be reduced especially when relaxations span decades in time, but approaching thermodynamic
equilibrium during measurements proves essential.
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All authors Benjamin Cross, Léo Garcia, Elisabeth Charlaix, Patrick Kékicheff
Quantum Gases
A two-dimensional realization of the parity anomaly
Nehal Mittal, Tristan Villain, Mathis Demouchy et al. (+4 more)
Quantum anomalies arise when
symmetries of a classical theory cannot be preserved upon quantization, leading to unconventional topological responses. A prominent example is the parity anomaly of a single two-dimensional Dirac
fermion, which enforces a half-quantized
Hall response. Anomaly inflow mechanism allows this effect to be observed at the surfaces of three-dimensional topological
insulators, however, its realization in a genuinely two-dimensional system has remained elusive. Here we report the observation of a parity-anomalous
Hall response at the critical point of a
quantum Hall topological phase transition in a synthetic two-dimensional system of ultracold dysprosium atoms. By coupling a continuous spatial dimension to a finite synthetic dimension encoded in atomic
spin states, we engineer tunable Chern bands with C = 0 and 1. At the transition, the bulk gap closes at a single Dirac point, where we observe a robust half-quantized
Hall drift despite strong non-adiabatic excitations. We show that this response originates from the global structure of the band
topology, is protected by an emergent parity
symmetry at criticality, and disappears when parity is explicitly broken. Our work establishes synthetic
quantum systems as a powerful platform to probe
quantum anomalies and their interplay with
topology and non-
equilibrium dynamics.
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All authors Nehal Mittal, Tristan Villain, Mathis Demouchy, Quentin Redon, Raphael Lopes, Youssef Aziz Alaoui, Sylvain Nascimbene