Statistical Mechanics · Cross-listed from quant-ph
Exact Quantum Many-Body Scars by a generalized Matrix-Product Ansatz
Sascha Gehrmann and Fabian H.L. Essler
We construct exact eigenstates of
quantum many-body systems with
Hamiltonians that are not frustration-free in
matrix product form, based on a local error cancellation ansatz motivated by the Derrida-Evans-Hakim-Pasquier method for finding the stationary state of the asymmetric simple exclusion process. We demonstrate the approach with explicit examples in both one and two spatial dimensions.
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Statistical Mechanics · Cross-listed from quant-ph
Preparing High-Fidelity Thermofield Double States
Brian J. J. Khor, Nadie LiTenn, Martin Sasieta et al. (+1 more)
A major promise of
quantum computers is the controlled preparation of many-body
quantum states beyond the reach of efficient classical computation. Among the most important targets are thermal mixed states and their thermofield double (TFD) purifications, which play central roles in
quantum many-body physics and
quantum gravity. For target systems with a bounded energy spectrum that obey the eigenstate thermalization hypothesis (ETH), we present a parent
Hamiltonian built from two copies of the target
Hamiltonian and ultra-local couplings between the copies, which we argue is gapped with a ground state that approximates a TFD state of the target
Hamiltonian. By adiabatically evolving down from strong coupling, we can thus prepare a high-fidelity TFD state. We study two variants of the parent
Hamiltonian using numerical methods in two classes of models: mixed field Ising models in one and two dimensions and non-local "
spin Sachdev-Ye-Kitaev” models. In the simpler variant, the parent
Hamiltonian ground state has high overlap with a TFD for system sizes accessible to near-term
quantum devices. However, the global overlap decays exponentially with the number of
qubits, with a small error per degree of freedom. The second variant introduces an additional penalty term which can be tuned to reduce or remove the decay of the overlap with system size. Together with a general ETH-based analysis, these results suggest a broadly applicable method for TFD preparation that is not limited to particular temperatures or
geometric locality.
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All authors Brian J. J. Khor, Nadie LiTenn, Martin Sasieta, Brian Swingle
Strongly Correlated Electrons
Universal Theory of Incoherent Metals
Aaron Kleger, Nikolay Gnezdilov and Rufus Boyack
Numerous unconventional
superconductors such as cuprates, heavy-
fermions, and twisted-
bilayer graphene exhibit incoherent metallic transport above the superconducting critical temperature. This phenomenon cannot be described with
Fermi-
liquid theory and has presented a significant theoretical challenge to overcome. We utilize the two-dimensional Yukawa-SYK model of
fermions with spatially random coupling to
quantum-critical
bosons to study transport in a manner which is non-perturbative in the coupling strength. Our work provides a microscopic model of
quantum-critical incoherent metals and their concomitant properties, including a non-Boltzmann transport formula between resistivity and quasi-particle lifetime, violation of the Mott-Ioffe-Regel resistivity bound, and violation of the Kovtun-Son-Starinets shear viscosity to
entropy density bound.
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Statistical Mechanics · Cross-listed from quant-ph
Rigorous error bounds for dissipative thermal state preparation from weak system-bath coupling
Christopher Ong, S. A. Parameswaran, Benedikt Placke et al. (+1 more)
Thermal state preparation is a central challenge in the simulation of
quantum many-body systems. Yet, provably efficient
algorithms for this task were only introduced recently [Chen et al. Nature 646, 561 (2025)]. These
algorithms are based on dissipative Lindbladian
evolution which exactly fixes the thermal state. Controlled and efficient digital simulation of this
evolution, although possible in principle, remains out of reach for present-day
quantum hardware. Subsequent work has therefore focused on analog approximations of the proposed Lindbladians via `collision models' with relatively modest requirements – a resettable bath of ancilla
qubits whose couplings to the system can be tuned in time-dependent fashion – while still admitting rigorous fixed-point error bounds. Existing rigorous approaches, however, do not exploit the fact that these constructions generically implement not only the desired Lindblad dynamics, but also an additional
unitary evolution generated by the system
Hamiltonian which may aid convergence to the thermal state [Lloyd and Abanin arXiv:2506.21318 (2025)]. Here, we show that this
unitary contribution does indeed tighten the fixed-point error bound and demonstrate that it is rigorously controlled by the system-bath coupling strength $J$, scaling as $J^2$. This demonstrates that the effect of the spurious `Lamb shift' term generated by the system-bath interaction can be controlled by tuning $J$. We clarify the role, previously observed, of a randomized implementation in suppressing possible resonances of the drive with the many-body spectrum, and bound the additional variance that this randomization imposes on observables. Finally, we numerically study aspects of the protocol which are relevant for its practical realization, such as the mixing time.
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All authors Christopher Ong, S. A. Parameswaran, Benedikt Placke, Dominik Hahn
Strongly Correlated Electrons
Parafermionic and decoupled multicritical points in a frustrated $\mathbb{Z}_6$ clock chain
Andrea Kouta Dagnino and Attila Szabó
We introduce a generalised six-state clock chain that interpolates between the clock and Potts models via a multicritical point described by decoupled Ising and three-state Potts models. We find that this decoupling extends into stable phases that break only $\mathbb{Z}_2$ or $\mathbb{Z}_3$
symmetry. We also use boundary CFT analysis and level spectroscopy to conclusively identify a $\mathbb{Z}_6$ parafermion multicritical point terminating the clock model Luttinger-
liquid phase. Our work shows that parafermions emerge far from integrability, even in systems with intertwined Ising and three-state Potts orders.
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Statistical Mechanics · Cross-listed from quant-ph
Page Curve for Local-Operator Entanglement from Free Probability
Neil Dowling and Silvia Pappalardi
The local-operator
entanglement (LOE) measures the classical simulability of a Heisenberg operator and is conjectured to witness many-body chaos in locally interacting systems. Using tools from free probability, we analytically compute its asymptotic value for Haar random dynamics for all Rényi indices. We find that to the first two orders in large dimension, for traceless operators it exactly reproduces the Page curve for random states. In contrast to higher-order out-of-time-ordered correlators (OTOCs), which depend on more complex operator correlations via free cumulants, the leading-order LOE is independent of the initial operator. \add{We detail exactly how these higher-order correlations are encoded in the coefficients of the finite-size corrections. Therefore, guided by our Haar result, we argue that the long-time value of the LOE
entropies in chaotic systems is robust: they depend only on a simple sub-sector of the hierarchy of correlations encoded by the full Eigenstate Thermalization Hypothesis. Our results therefore provide a conceptual boundary between operator simulability and higher-order scrambling diagnostics.
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Strongly Correlated Electrons
Interlayer Five-Spin Polaron in Superconducting Bilayer Nickelates
Jiarui Li, Christopher T. Parzyck, Eder G. Lomeli et al. (+19 more)
The discovery of high-$T_c$ superconductivity in Ruddlesden-Popper nickelates has sparked substantial effort towards understanding unconventional electronic states beyond a traditional cuprate-like $d^9$ configurational ground state. An understanding of the interplay between
magnetic ground states and multi-orbital physics is key for establishing a microscopic mechanism for superconductivity. In the
bilayer nickelates,
spin density wave (SDW) order is a prominent feature in the non-superconducting regime, yet its relation to superconducting pairing remains an open question. Here, we use resonant x-ray scattering to examine the existence of SDW order in superconducting
bilayer nickelate thin films La$_2$PrNi$_2$O$_7$ (LPNO). Comparing superconducting and oxygen-deficient LPNO thin films, we find that superconductivity occurs in SDW-free, oxygen-stoichiometric regions, whereas oxygen-deficiency promotes SDW order, indicating phase segregation of SDW and superconductivity. Furthermore, Ni-$L_3$ and O-$K$ edge spectroscopy reveals distinct electronic structures - particularly along the $c$-axis - between the two regions. Our results identify oxygen stoichiometry as a key parameter controlling interlayer coupling and thus the electronic structure of
bilayer nickelates. In concert with theory, we propose that a ligand hole primarily resides at the inter-
bilayer apical oxygen, forming a robust interlayer five-
spin polaron state, which serves as the ground state for superconducting
bilayer nickelates.
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All authors Jiarui Li, Christopher T. Parzyck, Eder G. Lomeli, Yidi Liu, Taehun Kim, Heemin Lee, Zengqing Zhuo, Eun Kyo Ko, Yaoju Tarn, Cheng-Tai Kuo, Ronny Sutarto, Chunjing Jia, Vivek Thampy, Jonathan Pelliciari, Wanli Yang, Brian Moritz, Yijun Yu, Jun-Sik Lee, Valentina Bisogni, Thomas P. Devereaux, Harold Y. Hwang, Wei-Sheng Lee
Strongly Correlated Electrons · Cross-listed from hep-th
de Sitter Vacua & pUniverses
Jeremias Aguilera-Damia, Dionysios Anninos, Tarek Anous et al. (+2 more)
We analyze a simple extension of the Schwinger model, which we refer to as the $p$-Schwinger model, on a de Sitter background. In this theory, the charged massless
fermions carry non-unit integer charge $p$. In Minkowski space, the $p$-Schwinger model has discrete zero- and one-form global
symmetries that are spontaneously broken, yielding $p$ degenerate ground states. We demonstrate that these features persist upon placing the $p$-Schwinger model on a global de Sitter background, establishing that such discrete global
symmetries can be spontaneously broken for
quantum field theories in de Sitter space. In particular, the theory is endowed with $p$ distinct, but locally-indistinguishable, de Sitter invariant states, the de Sitter
vacua, satisfying the Hadamard property. We couple a variant of the $p$-Schwinger model with ${\rm N}_{\rm f}$
flavors to
quantum gravity with $\Lambda>0$, and demonstrate the existence of a semiclassical de Sitter saddle at large ${\rm N}_{\rm f}$. In the gravitational theory, the $p$ de Sitter invariant
vacua are speculatively interpreted as microstates of the de Sitter horizon in the low-energy effective field theory.
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All authors Jeremias Aguilera-Damia, Dionysios Anninos, Tarek Anous, Johnny Gleeson, Alan Rios Fukelman
Statistical Mechanics · Cross-listed from quant-ph
Note on Strong Quantum Markov Properties
Chi-Fang Chen
Quantum many-body Gibbs states satisfy an approximate local Markov property~\cite{chen2025GibbsMarkov}: local noise can be approximately recovered by a quasi-local recovery map, and the conditional mutual information decays for the corresponding tripartition. Recent work~\cite{bergamaschi2025structural} extends this property to approximate stationary states (metastable states) of certain master equations modeling system–bath dynamics, and proposes a strengthened post-selected recovery property requiring recovery to hold for each measurement outcome. In this note, we characterize this strong Markov property: it holds if and only if the state additionally satisfies correlation decay for suitable pairs of observables. We further prove several structural and operational consequences of the strong Markov property in the presence of an underlying master equation. First, one can estimate multiple observables from a single copy of the state via a repeated measurement–recovery protocol. Second, any two strongly Markov states must have local marginals that are either very close or well separated. Third, if a strongly Markov state can be expressed as a mixture of two strongly Markov states, then their local marginals must be nearly indistinguishable.
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Strongly Correlated Electrons · Cross-listed from quant-ph
Precision gravimetry via harnessing interaction-induced resonances in optical lattices
Hassan Manshouri, Moslem Zarei, Mehdi Abdi et al. (+3 more)
By confining a Bose-Einstein condensate in a vertical
lattice subjected to a gravitational potential, we analyze the
quantum Fisher information to determine its scaling with respect to time, system size and particle number. Our results reveal that in the localized phase, on-site interactions $U$ amplify the
quantum Fisher information by a factor with respect to resonance condition $U=mh$ where $U$ is factor of gradient field amplitude $h$. This precision enhancement can be employed in gravitational acceleration measurements with a finite number of particles trapped in optical
lattices.
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All authors Hassan Manshouri, Moslem Zarei, Mehdi Abdi, Yasser Omar, Sougato Bose, Abolfazl Bayat
Statistical Mechanics · Cross-listed from quant-ph
Identical Particle Systems : Hierarchical Spectral Reconstruction
Hovan Lee, Rémi Lefèvre and Grégoire Ithier
We identify a hierarchical
symmetry structure underlying the
Hilbert space of
quantum systems made of identical particles. By studying the linear map between single-body and many-body spectra, we show that the resulting spectral organization admits a natural partition into sectors induced by a
symmetry governed by cyclotomic fields and their Galois groups. This approach offers a new perspective on the structure of
quantum many-body spectra, defining a controlled coarse-graining of the
Hilbert space in which degeneracies and spectral features can be systematically organized through a set of new
quantum numbers. The resulting structure induces a hierarchy of spectral resolutions following a renormalization flow, which enables information loss control. We demonstrate that this hierarchical decomposition provides an efficient route to approximate MBDoS calculations for any identical particle system, while preserving physically relevant spectral properties. This approach provides a general
symmetry-based framework for organizing and approximating many-body spectra, with potential applications to
quantum thermalization, spectral statistics, and large-scale
quantum simulations.
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Soft Condensed Matter
Emergent flocking dynamics in chemorepulsive active colloids: Interplay of disorder and noise
Sagarika Adhikary and Rajesh Singh
Recent studies of active colloidal matter have revealed that a global polar order can arise from chemorepulsive interactions among particles without any explicit
alignment interaction between them. In this work, we investigate such chemically interacting active colloids in the presence of quenched disorder, where a fraction of particles are randomly pinned in space. These pinned particles are restricted to rotational motion while remaining chemically coupled to the mobile population. In addition, angular noise is incorporated into the rotational dynamics to capture
stochastic effects. To elucidate the interplay of quenched disorder and noise, we construct phase diagrams based on polar order and its fluctuations, and systematically analyze the associated disorder- and noise-driven phase transitions. Surprisingly, we find that the phase transition driven by the noise is significantly dependent on the density of the particles, whereas such a density-dependence is not present when the control parameter is the pinning fraction. The finite-size effects on these transitions are also examined. We demonstrate that an effective interaction range, governed by the coefficient related to the screening of the chemorepulsive interaction, plays a crucial role in collective behavior. When the effective interaction range is much smaller than the system size, the system exhibits density band formation, a feature absent in the long-range interaction regime. Moreover, near the transition point, the order parameter distribution becomes bimodal for the case of short-range interaction.
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Materials Science
Structural evolution of Ti/Cu multilayers as a function of period thickness
Sergei S. Sakhonenkov, Aidar U. Gaisin, Anita O. Petrova et al. (+2 more)
Ti/Cu multilayers with periods ranging from 4 to 52.5 nm were synthesized by magnetron sputtering to examine how the period thickness affects morphology, crystallization, texture development, and preservation of periodicity. The structural
evolution was analyzed using complementary transmission electron microscopy techniques with X-ray diffraction and reflectometry. The results show that the period thickness governs the balance between interfacial transition-region formation, crystallization, and growth-induced morphological instabilities. At the smallest period of 4 nm, the structure has strongly reduced periodic contrast, which may be attributed to extended interfacial regions, partial Cu-Ti intermixing, and suppression of well-defined layer formation. At 10 nm, the multilayer structure is preserved but remains affected by accumulated roughness and layer waviness; local modification of the Cu
lattice is suggested to be significant relative to the
bilayer period, likely due to mixed Cu-Ti interfacial regions and/or coherent strain. With increasing period, the multilayers become more regular, and the layers show progressive crystallization and texture development during growth. Cu crystallizes predominantly in the fcc structure with a strong Cu(111) contribution, whereas Ti exhibits a more complex structural
evolution, from an amorphous or weakly crystallized state near the substrate toward a more ordered and textured state closer to the surface.
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All authors Sergei S. Sakhonenkov, Aidar U. Gaisin, Anita O. Petrova, Vasilii A. Matveev, Elena O. Filatova
Mesoscale and Nanoscale Physics
Triplet-assisted leakage during singlet-triplet qubit readout with a quantum point contact
Karol Kawa
Quantum point contact readout theory for singlet-triplet
qubits in a lateral double
quantum dot is extended by including tunneling of triplet configurations into a higher-energy level of the neighboring dot. This additional channel creates energetically allowed leakage pathways that modify the branch-dependent charge and current-noise signatures, even when the Pauli blockade remains effective within the ground-state
manifold. The model contains two single-particle levels in each dot. The resulting singlet and triplet block structure is derived together with a Lindblad master equation.
Quantum-jump simulations are then used to resolve the dynamics of individual readout events. A complementary Liouvillian steady-state analysis identifies the regime in which tunneling to the excited level qualitatively changes the readout signatures, with the crossover determined by the level spacing.
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Disordered Systems and Neural Networks
The free energy limit of the SYK model at high temperature
David Gamarnik, Francisco Pernice, Alexander Schmidhuber et al. (+1 more)
The Sachdev-Ye-Kitaev (SYK) model is a disordered
quantum mean-field model studied in condensed matter physics and the
holographic theory of black holes. Its structural properties can be derived heuristically using a combination of the replica method and path integration techniques. Analyzing it mathematically rigorously, however, turned out to be notoriously difficult, even for basic questions such as computing the annealed free energy. In this paper we rigorously compute the free energy limit (annealed and quenched) for this model at high enough but constant temperature. Our results are in numerical agreement with the results derived by physics methods. Remarkably, though, our method of proof is novel and is different from the physics approach. It is based on (a) the theory of the component structure of sparse random graphs and (b) a variant of the cavity method, used widely in prior rigorous and heuristic treatments of classical
spin glasses.
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All authors David Gamarnik, Francisco Pernice, Alexander Schmidhuber, Alexander Zlokapa
Mesoscale and Nanoscale Physics · Cross-listed from quant-ph
Readout failures in superconducting qubits due to TLS-defects in tunnel junctions
J. Lisenfeld, A. K. Händel, A. Bilmes et al. (+1 more)
Material defects give rise to parasitic two-level systems (TLS) which present a major source of decoherence in superconducting
qubits. Here, we study a strongly coupled TLS that resides in the tunnel barrier of transmon
qubit. We use multi-
photon spectroscopy and TLS strain tuning to explore the rich spectrum of the interacting three-partite system consisting of TLS,
qubit, and its readout resonator. This reveals a strong effective resonant coupling between the TLS and the
qubit's readout resonator which dresses the resonator states and results in a resonance frequency shift that spoils the readout signal. Our finding presents yet another way how material defects can interfere with
qubit operation and hinder the realization of solid-state
quantum processors.
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All authors J. Lisenfeld, A. K. Händel, A. Bilmes, A. V. Ustinov
Mesoscale and Nanoscale Physics
Absence of Quantum-Metric-Induced Intrinsic Longitudinal Response
Ping Tang
Nonlinear charge transport in solids has emerged as a powerful probe of the
quantum geometric properties of Bloch electrons. While the Berry
curvature underlies the intrinsic anomalous
Hall effect, recent studies have suggested that the
quantum metric may generate both intrinsic nonlinear
Hall and longitudinal transport. Here, using standard
quantum-mechanical perturbation theory, we demonstrate that the
quantum-metric-induced intrinsic longitudinal response identically vanishes, even though the corresponding intrinsic
Hall response is allowed. This conclusion follows from the dissipationless nature of intrinsic currents and holds independently of band structure details and to all orders in the nonlinear response. Our work resolves existing inconsistencies in the theoretical formulation of
quantum-metric-induced nonlinear transport and suggests a reexamination of recently reported intrinsic longitudinal responses attributed to the
quantum metric.
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Statistical Mechanics
Exact Microcanonical Formulation and Thermodynamics of Equispaced Finite-Level Systems
J. Ricardo de Sousa
We present an exact microcanonical formulation, in the thermodynamic limit, for a system of $N$ noninteracting particles with $p$ equally spaced energy levels $\{0,\epsilon,2\epsilon,\ldots,(p-1)\epsilon\}$. Writing the microcanonical multiplicity $\Omega_p(E,N)$ as the coefficient of a generating function and evaluating the resulting representation by saddle-point analysis, we derive analytical expressions for the
entropy per particle $s(u,p)$ and inverse temperature $\beta(u,p)$, with $u=E/(N\epsilon)$ in the interval $[0,p-1]$. The formulation applies to arbitrary $p$ and recovers the known cases $p=2$, $p=3$, and $p\to\infty$. For finite $p$, the bounded spectrum implies an
entropy maximum at $u_c=(p-1)/2$, where $\beta$ vanishes and changes sign. In the limit $p\to\infty$, the upper spectral bound is lost, the finite-energy
entropy maximum disappears, and no negative-temperature branch remains. To our knowledge, this is the first general thermodynamic-limit microcanonical solution for arbitrary $p$. It therefore provides a unified framework for the thermodynamics of equispaced finite-level systems and their bounded-spectrum crossover with increasing $p$.
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Statistical Mechanics
Geometric Formulation of Power-Efficiency Bounds in Carnot-like Engines
R. X. Zhai
We formulate the power-efficiency constraint of Carnot-like heat engines as a
geometric optimization problem in the plane of normalized branch dissipations. In this plane, efficiency contours are straight lines, so maximizing the efficiency at fixed power reduces to bounding the slope of an admissible line. For branch dissipations that scale inversely with a power of the process time, the fixed-power constraint defines a two-dimensional attainable region, and the resulting slope-bound problem reduces to a linear-programming problem. This
geometric framework yields the exact power-efficiency constraint for Carnot-like heat engines with power-law dissipation.
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Mesoscale and Nanoscale Physics
High-Q cryogenic surface acoustic wave resonators in the GHz range
Aldo Tarascio, Oliver Wicki and Dominik M. Zumbühl
Surface acoustic wave (SAW) resonators provide a compact platform for confining microwave-frequency
phonons and are widely used in
radio-frequency technologies, but their operation at gigahertz frequencies and cryogenic temperatures remains challenging. In this regime, conventional design rules do not directly apply, and achieving high-quality acoustic confinement requires careful consideration about geometry and loss mechanisms. Here, we present a systematic experimental study of SAW resonators on gallium arsenide, a platform of particular interest for hybrid
quantum devices but comparatively unexplored for high-Q SAW cavities. By varying key design parameters such as cavity length, wavelength, and
crystal orientation, we study resonator performance and achieve quality factors up to 28000 in the gigahertz range. In addition, we introduce mesa steps within the acoustic cavity, mimicking realistic device architectures and providing insight into scattering processes and additional dissipation channels. Our results establish practical design guidelines for GaAs-based SAW resonators and support their development as a scalable platform for
quantum acoustics and
phonon-mediated hybrid systems.
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Strongly Correlated Electrons
Benchmarking the Dual Fermion approach on the Falicov-Kimball model
Akshat Mishra, Hugo U. R. Strand and Erik G. C. P. van Loon
Strong electronic correlations generally require non-perturbative treatment. Local correlations are captured by dynamical mean-field theory while nonlocal correlations can be treated with diagrammatic extensions such as the Dual
Fermion approach. Dual
Fermion is built on physically motivated, but in principle uncontrolled approximations, so careful benchmarking is needed to understand the strengths and limitations of the method. In this work, we
benchmark ladder Dual
Fermion and dynamical mean-field theory for the Falicov-Kimball model with the exact classical Monte Carlo solution. We focus on the thermodynamics, electronic structure and susceptibility, especially at the combined frequency and momentum structure, and find that Dual
Fermion clearly outperforms dynamical mean-field theory. Somewhat surprisingly, Dual
Fermion is not as accurate for the relation between orbital density versus chemical potential in the doped system. These results demonstrate the need for rigorous benchmarking of diagrammatic extensions of dynamical mean-field theory for models with inequivalent orbitals, which is essential for modelling materials.
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Materials Science
Unified Mapping of Multi-Site Electrocatalytic Activity Using a Single Descriptor
A. Dana, D. Terrones, S. Gelin et al. (+1 more)
We present a precise and general method to map the activity of electrocatalysts across multiple sites. Starting from a mean-field statistical mechanics model, we introduce an effective adsorption free energy descriptor that explicitly incorporates lateral adsorbate-adsorbate interactions, enabling the construction of coverage-consistent volcano relationships. Extending this approach, we show that adsorption energetics and interaction strength define a two-dimensional activity landscape that gives rise to a "volcano ridge" that captures the coupled influence of binding and interactions on catalytic performance. For multi-site systems, we demonstrate that the inherently nonlinear coupling between distinct adsorption environments leads to multi-peaked activity trends that cannot be represented by conventional single-site descriptors. To address this, we introduce a reduced descriptor mapping that projects the multidimensional activity landscape onto a single effective coordinate while preserving the underlying physics of site heterogeneity and lateral interactions. The resulting framework generalizes Sabatier-type analysis to complex
alloy catalysts and provides a physically interpretable route for screening electrocatalytic materials of arbitrary compositional complexity.
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All authors A. Dana, D. Terrones, S. Gelin, I. Dabo
Materials Science
A Unified microscopic picture of cation and anion migration in MAPbI$_3$
Viren Tyagi, Geert Brocks and Shuxia Tao
Passivating defects and restricting defect mobilities in halide perovskites to increase device lifetimes has become a main field of research. Modeling structure and mobility of point defects is an essential contribution to this endeavor. We employ molecular dynamics, based on neural network potentials trained on density functional theory data, to model ion migration in MAPbI$_3$ triggered by I and MA vacancies or interstitials. Most of these species diffuse rapidly at room temperature, with migration barriers between 0.15 and 0.20 eV. MA interstitials are highly mobile despite their molecular nature, owing to a concerted migration mechanism involving multiple MA ions. No evidence of MA vacancy migration is obtained. Whereas
diffusion of I-related defects appreciably depends on their charge state,
diffusion of MA defects does not. These results revise the conventional picture of ion transport in hybrid perovskites and highlight the role of collective molecular motion in enabling fast ionic migration.
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Strongly Correlated Electrons
Exotic magnetism and persistent short-range spin correlations in a frustrated honeycomb lattice antiferromagnet
M. Barik, Q. Faure, F. Damay et al. (+3 more)
Two-dimensional high-
spin bipartite honeycomb networks, where anisotropy, competing exchange interactions, and
spin fluctuations interplay, provide an alternative platform to test theoretical models that distinguish between classical and
quantum magnetism in the context of emergent many-body phenomena and exotic excitations. Here, we report the
crystal structure, magnetization, specific heat, and inelastic
neutron scattering measurements of the $S = 5/2$ distorted honeycomb magnet $\mathrm{CaZn_2Fe(PO_4)_3}$. Magnetization measurements reveal dominant
antiferromagnetic interactions between the $\mathrm{Fe^{3+}}$ ($S = 5/2$) moments. The development and field
evolution of a dip in the
magnetic susceptibility under an external
magnetic field indicate an unconventional field-induced transition, further supported by anomalies observed in magnetization isotherms. Zero-field specific heat measurements show an
antiferromagnetic transition at $T_N \approx 1.67 \mathrm{K}$, which evolves under applied
magnetic field, suggesting stabilization of a field-induced
spin-canted state. Thermodynamic measurements reveal short-range
spin correlations above the transition temperature. Inelastic
neutron scattering results further corroborate
antiferromagnetic ordering, consistent with specific heat data.
Spin-wave calculations indicate competing exchange interactions that introduce
magnetic frustration, along with weak Ising-like anisotropy. The interplay of competing interactions and anisotropy gives rise to exotic field-induced behavior and places the system in close proximity to a mean-field tricritical point in the $J_2/J_1$–$J_3/J_1$ phase diagram, opening a route to unconventional states in high-
spin frustrated honeycomb magnets.
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All authors M. Barik, Q. Faure, F. Damay, J. P. Embs, S. Petit, P. Khuntia
Disordered Systems and Neural Networks
Computational Methods toward Ultrastable Glasses
Fabio Leoni, Misaki Ozawa, John Russo et al. (+2 more)
Ultrastable glasses, amorphous solids with exceptionally low-energy states and enhanced kinetic, thermodynamic, and mechanical stability, have long been a subject of intense experimental interest. Over the past decade, their computational realization has emerged as a major goal in condensed matter physics, as numerical methods can exploit unphysical moves to access deeply supercooled and nonequilibrium glassy states far beyond the reach of conventional cooling protocols, thereby providing key insights into the nature of the glass transition and amorphous states and enabling the design of mechanically robust glassy materials. In this review, we outline the key steps underlying the most effective
algorithms developed across the field. For each approach, we discuss its efficiency, limitations, and physical interpretation. We finally present a comparative analysis of the stability achieved across these methods, with the aim of equipping both newcomers and experts with an intuitive and comprehensive understanding of the field's current state and the opportunities it presents.
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All authors Fabio Leoni, Misaki Ozawa, John Russo, Taiki Yanagishima, Andrea Ninarello
Superconductivity
Vortex Dynamics Driven Transverse Transport in Superconducting Thin Films
Laxmipriya Nanda, Sohini Guin, Yasen Hou et al. (+7 more)
The generation of transverse voltage in superconducting thin films carrying a longitudinal current has been recently related to demonstrate exotic,
symmetry-breaking transport phenomena. To understand the underlying phenomenon we chose two distinctly different systems to investigate; a conventional (Nb) and a nonconventional (Ni/Bi
bilayer)
superconductor. A systematic study of this transverse response in these type-II superconducting thin films we aimed towards establishing its microscopic origin. Both longitudinal and transverse magneto transport measurements were carried out with
Hall-bar patterned devices as a function of temperature with
magnetic field applied out-of-plane. In both systems, a sharp, field antisymmetric transverse resistance emerges in the superconducting transition region, closely following the field derivative of the longitudinal resistance while it was vanishingly small or absent in the fully superconducting or normal states. Based on the
vortex-flow model, the behavior could be quantitatively attributed as the transverse voltage arising due to the motion of Abrikosov
vortices under a combined action of Magnus like force and viscous drag force, rather than from any exotic or intrinsic
Hall-type mechanism. The close correspondence between a nominally conventional
superconductor Nb and an unconventional
superconductor heterostructure incorporating a
ferromagnetic layer indicates that the
vortex dynamics alone, independent of
magnetic proximity effects or unconventional pairing, seems to be sufficient to account for the observed transverse signal. Our observations while seems to provide a quantitative, material-independent model for interpreting transverse voltages in superconducting films, raises the concerns in attributing such signals to exotic physics without first ruling out conventional
vortex-flow contributions.
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All authors Laxmipriya Nanda, Sohini Guin, Yasen Hou, Rajib Sarkar, Naresh Shyaga, Souvik Banerjee, A. Sundaresan, N. S. Vidhyadhiraja, Jagadeesh S. Moodera, Dhavala Suri
Soft Condensed Matter
Equilibrium Adsorption of Hard Disks on Patterned Adhesive Surfaces: A Monte Carlo Simulation Study
Nazar Kukarkin and Taras Patsahan
Equilibrium adsorption of disk-like particles on patterned adhesive surfaces is studied using Monte Carlo simulations. The surface is represented as a two-dimensional plane with circular adhesive domains arranged either regularly or randomly, while the particles are modelled as hard disks. The interaction energy between a particle and the surface is defined by the contact area between the particle and the adhesive domains. It is shown that the adsorption behaviour is controlled not only by the total area of the adhesive regions, but also by the geometry of the surface pattern. In particular, the domain size is found to have a significant effect on the adsorption efficiency. The most pronounced effect is observed when the particle and domain sizes are equal, which leads to enhanced adsorption at intermediate values of the chemical potential. At high values of the chemical potential, however, when the particle surface coverage increases, steric effects become important, which weakens the influence of the surface pattern geometry. The obtained results demonstrate that the adsorption efficiency and surface organization of particles can be tuned by choosing the size, coverage, and spatial arrangement of adhesive domains. This study may be useful in the design of functional surfaces, selective adsorption platforms, biosensors, and affinity-based
cell sorting systems.
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Statistical Mechanics · Cross-listed from quant-ph
Thermodynamic incompleteness of state dynamics in Markovian transport
Yang Tian
Markovian transport is often described by a master equation for the system state. The thermodynamic information measured in transport experiments, however, is carried by reservoir-resolved transfer records, such as particle currents, heat currents,
entropy production, and current noise. We identify a thermodynamic incompleteness of state dynamics: a Markovian state generator can fix the occupation probabilities, stationary response, and relaxation without specifying how the underlying transitions are assigned to reservoirs and energy filters. We study a multi-terminal Coulomb-blockaded
quantum dot coupled to energy-filtered reservoirs, for which different assignments of reservoir channels can generate the same state master equation. These assignments give identical occupation dynamics, stationary state, and linear response of the dot, but different heat currents,
entropy production, and current noise. We formulate a thermodynamic completeness criterion: a transport observable can be reconstructed from state dynamics only when it is invariant under all changes of reservoir-channel assignments that leave the state generator unchanged. The criterion gives a practical diagnostic for Markovian transport models and a measurable prediction: state
tomography can be insufficient to predict heat-noise and cross-correlation measurements, even when the full Markovian state dynamics is known. The analysis identifies a concrete limitation of state-only Markovian thermodynamics and shows which additional transport records must be specified to make thermodynamic predictions experimentally complete.
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Mesoscale and Nanoscale Physics
Probing the Valley-Selective Tunneling Density of States in Monolayer MoS2 based Resonant Tunneling Devices
Abir Mukherjee, Kajal Sharma, Ajit K Katiyar et al. (+3 more)
The present work experimentally demonstrates the fabrication of CVD grown monolayer MoS2 ultra thin
quantum well based double barrier resonant tunneling device (RTD) architecture well compatible with conventional CMOS fabrication technology. The strongly quantized electronic states from multiple valleys in the momentum space in such ultra 2D sheet along the c-axis sandwiched in between Al2O3 tunneling barriers exhibit multiple resonant tunneling peaks thereby enhancing the FWHM of the NDR region as derived from experimental I-V characteristics as well as theoretical joint invision through Density Functional Theory (DFT) and Non-
Equilibrium Greens function (NEGF) visualized via Tunneling Density of States (TDOS). Understanding extended to S-vacancies not only change the bandgap, as evaluated through nanoscale Cathodoluminescence (CL) spectroscopy, but also alters the effective mass hence the mobility as investigated here within the high
symmetry path in the k-space. Electrical performances of fabricated RTD, starting from cryogenic to room temperatures, show a significant milestone via exhibiting huge PVR values of 178 at 4K and 24 at RT with more possible improvement in the field of room temperature
quantum technology. Momentum conserved and non conserved tunneling from highly n-doped Si through multiple valleys of 1L-MoS2 provides a tremendous opportunity in gate-induced manipulation in
Spin-Valley
Qubit technology operational at deep cryogenic temperatures (mK).
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All authors Abir Mukherjee, Kajal Sharma, Ajit K Katiyar, Saranya Das, Samit K Ray, Samaresh Das
Soft Condensed Matter
Polymer Knots in Thin Films: Thickness Dependence, Local Effects, and Stiffness
Maurice P. Schmitt, Hendrik Meyer and Peter Virnau
We study how confinement affects
topology and conformations in
polymer films of varying thickness $h$. The knotting probability exhibits a maximum at intermediate thicknesses near the bulk radius of gyration $h \approx R_\mathrm{g,bulk}$, vanishes at small $h$ and approaches bulk values for large $h$. Close to walls, the
entanglement length increases monotonically and conformations become flatter. A layer-resolved analysis of structural and topological properties allows us to reconstruct the explicit thickness dependencies by integrating layer-resolved properties of a thick film.
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