Superconductivity
Layer-resolved Electronic Structure and Correlation of Low-$n$ Square-planar Nickelates: A DFT+DMFT Prediction of Superconducting Candidates
Jian-Hong She, Rong-Qiang He and Zhong-Yi Lu
Multi-layer square-planar nickelates provide a rare platform in which the nominal Ni valence, dimensionality, and layer-resolved electronic structure can be tuned within the same structural family. Recent experiments have found superconductivity in $n=4$–8 $R_{n+1}Ni_nO_{2n+2}$ compounds, with the highest $T_c$ near $n=6$, whereas the more heavily hole-doped $n=3$ member remains nonsuperconducting. Here we propose spacer-layer Cl doping as a route to convert low-$n$ nickelates into superconducting candidates. Compared with changing the layer number $n$, Cl substitution on the spacer-layer oxygen sites offers a chemically natural way to continuously tune the Ni valence while leaving the NiO$_2$ planes largely intact; the lower-$n$ compounds may also be more accessible for synthesis. Using density functional theory combined with dynamical mean-field theory, we show that electron-compensated $n=2$ and $n=3$ La-based nickelates, targeted to the nominal Ni valence of superconducting $n=6$, develop Ni-$d$ correlations comparable to those of superconducting higher-$n$ compounds while preserving the characteristic low-energy Ni-$d$ electronic structure. These results suggest spacer-layer Cl doping as a promising strategy for designing low-$n$ square-planar nickelate
superconductors.
Read the full abstract ▾
Mesoscale and Nanoscale Physics
Charge carrier flow through trimmed graphene nanoribbon junctions
Julien Leuenberger, Kristiāns Čerņevičs and Oleg V. Yazyev
As Moore's law approaches its fundamental limits, the development of nanoelectronic devices using low-dimension materials has become a promising avenue for further miniaturization and performance improvements. Among the various novel materials,
graphene nanoribbons (GNRs) have emerged as particularly attractive candidates due to their unique electronic properties, opening up a whole new nanoelectronics paradigm consisting of
circuits made entirely of
graphene. However, due to the technical constraints that naturally arise when working on a two-dimensional plane, the design of efficient nanoelectronic components with a minimal spatial footprint remains a significant challenge. In particular, connecting various components can be a real architectural challenge, comparable to that of the first printed
circuit boards. This paper investigates strategies for designing optimal-sized nanoribbon junctions which allow connecting GNRs at an angle, by trimming the junction edge while maintaining favorable electronic properties. Specifically, we show that the probability density current at the tip of junctions is negligible, implying that a selection of atoms can safely be removed without significantly altering the conductance. More generally, we demonstrate that larger trimmings have impacts on the conductance channels, resulting in a conductance that is mainly dictated by the ratio of armchair and zigzag edges. Finally, we propose a simple model relating this ratio to the conductance.
Read the full abstract ▾
Other Condensed Matter · Cross-listed from quant-ph
Non-Hermitian topology driven by an identity term: An exactly solvable paradigm
Lingfang Li, Yating Wei, Yang Ruan et al. (+6 more)
An identity term in the
Hamiltonian is conventionally regarded as spectrally inert-it shifts energies but does not alter eigenstate
topology. We show that under non-Hermitian skin pumping, this paradigm fails: a momentum-dependent identity term actively deforms the generalized Brillouin zone, thereby challenging established topological criteria that rely on fixed complex contours. Here, by introducing
spin-orbit coupling into a Hatano-Nelson chain, we present an exact analytical solution for the entire non-Hermitian eigensystem under open boundary conditions. Our solution reveals how inter-
cell spin-orbit coupling, synergizing with this non-trivial identity term, induces topological edge states and robust zero modes in the complete absence of
chiral symmetry. This work establishes an exactly solvable paradigm for non-Hermitian
topology beyond
symmetry protection, and provides a rigorous
benchmark for testing topological invariants in systems with momentum-dependent identity terms.
Read the full abstract ▾
All authors Lingfang Li, Yating Wei, Yang Ruan, Gangzhou Wu, Jun Wang, Shihua Chen, Tong Lin, Ching Hua Lee, Zhenhua Ni
Superconductivity
Influence of electronic correlations on disorder-induced loop currents in high-Tc superconductors
Marius Paul and Götz Seibold
Time-reversal
symmetry breaking in superconducting systems can manifest itself in the form of currents which are induced by inhomogeneities in the charge and order parameter distribution. With regard to cuprates such states have been theoretically studied in the overdoped region of the phase diagram where the inhomogeneities are related to out-of plane dopants. In this paper we will extend previous work by including local correlations within the unrestricted Gutzwiller approximation in order to study its impact on the induced loop currents. In addition, we investigate the effect of next-nearest neighbor hopping which extends the TRSB phase towards half-filling. We find that in general correlations lead to a suppression of loop currents, however, the Gutzwiller approach can sustain such states to larger values of the local on-site repulsion as compared to the Hartree-Fock approximation. Our investigations allow for an estimation of the local
magnetic moment emerging from
impurity-induced loop currents for cuprate
superconductors.
Read the full abstract ▾
Materials Science
Quantum weight and low-loss EELS signatures of Wannier quantum geometry in black phosphorus
Vinayak M. Kulkarni and Sharona Horta
Quantum geometry is now experimentally accessible in crystalline solids, with black phosphorus providing a key platform through polarization-resolved angle-resolved photoemission spectroscopy. We develop a first-principles framework that connects the momentum-resolved
quantum metric of black phosphorus to a complementary bulk observable: the direction-resolved
quantum weight measurable through low-loss electron energy-loss spectroscopy (EELS). A 32-band DFT–Wannier
Hamiltonian is used to compute both single-band and occupied-
manifold geometric quantities from analytic momentum derivatives. We show that the raw single-band
quantum metric of the top valence band is not globally meaningful in the conventional
cell because folding degeneracies and intra-valence near degeneracies produce true isolated-band singularities; masked maps and occupied-
manifold projectors are therefore essential. Because semilocal PBE produces near-gap semimetallic pockets and spurious subgap interpolation features, we introduce an experimentally motivated restricted
quantum weight $K_{ii}(\omega_c)$, which obeys the corresponding restricted Souza–Wilkens–Martin sum rule and is the appropriate quantity for low-loss EELS once the zero-loss region is excluded. The restricted in-plane
quantum weight is nearly isotropic, $K_{zz}/K_{xx}=0.972\pm0.005$ (armchair/zigzag), despite the strong band-mass anisotropy and armchair-only absorption onset of black phosphorus. Orbital-resolved Hubbard–Hartree corrections leave the absolute
quantum weights rigid at the sub-percent level while producing a small but resolved armchair-directed drift of $K_{zz}/K_{xx}$, approximately $+0.46\%$ per eV of $U$. These results identify low-loss EELS spectral moments as a practical probe of integrated
quantum geometry in an anisotropic layered material.
Read the full abstract ▾
Statistical Mechanics · Cross-listed from quant-ph
Quantum and Classical Potts Criticality in Driven-Dissipative Bosonic Lattices
Jacopo Tosca, Zejian Li and Cristiano Ciuti
The emergence of
equilibrium universality from intrinsically nonequilibrium dynamics is a fundamental open problem. Bose-Hubbard
lattices realized in photonic and
circuit-QED platforms provide a versatile setting to engineer nonlinear interactions, dissipation, and multiphoton processes. Here we investigate a Bose-Hubbard
lattice subject to three-
photon parametric driving, whose nonequilibrium steady state spontaneously breaks a $\mathbb Z_3$
symmetry and realizes the criticality of the three-state Potts model, a three-state generalization of the Ising model. Using a variational phase-space approach with systematically controllable accuracy based on a Variational Multi-Gaussian ansatz, we perform finite-size scaling analyses in one and two spatial dimensions. We find that, in two-dimensional
lattices with single-
photon losses, the nonequilibrium steady-state transition belongs to the universality class of the 2D classical three-state Potts model. In contrast, in one-dimensional
lattices with three-
photon losses, the transition is governed by the one-dimensional
quantum three-state Potts universality class. These results establish driven-dissipative bosonic
lattices as a platform for emergent Potts criticality and identify multiphoton dissipation as a mechanism that promotes nonequilibrium critical behavior from classical to
quantum universality classes.
Read the full abstract ▾
Soft Condensed Matter · Cross-listed from physics.flu-dyn
On the rectification of oscillatory flows by flexible leaflets in a confined geometry
Omar Abukabsha, Simon Gsell and Martin Brandenbourger
Inspired by biological systems, extensive research has explored how fluid-structure interactions in compliant channels and confined geometries control fluid transport. While local nonlinearities can be induced by individual components, arranging these elements into larger architectures gives rise to increasingly complex, collective responses. Predicting these collective behaviors, however, remains largely restricted to steady-state characterization, as the dynamic coupling between time-varying flows and multiple interacting structures is difficult to model. In this paper, we investigate numerically the collective interaction of multiple asymmetric leaflets within a channel at low-Reynolds number. By utilizing symmetrically oscillating plates rather than a pressure-driven flow to isolate the system from background asymmetries, we characterize how these interacting structures generate a net fluid transport. We develop an analytical framework to evaluate transport in the steady limit, which we subsequently extend to account for time-dependent channel oscillations, providing a complete dynamic description of the coupled fluid-structure system. Our results demonstrate that high leaflet densities maximize collective interactions and net transport. Furthermore, we define an elastoviscous number comparing viscous hydrodynamic forces to the restorative elastic forces of the leaflets, and uncover an optimal value that maximizes the net flow. This framework establishes a foundation for analyzing how collective slender structures interact dynamically within viscous environments, laying the groundwork for future studies on flow control in biological fluid transport and microfluidic design.
Read the full abstract ▾
Superconductivity
Theoretical exploration of Be Ag(II) F phases and their magnetic properties using learning algorithms
Katarzyna Kuder and Wojciech Grochala
The search for novel silver(II) fluorides is driven by their potential as electronic and
magnetic analogues to high temperature cuprate(II)
superconductor precursors. Here, we explore the previously uncharted Be Ag(II) F chemical space using global structure prediction
algorithms combined with first principles calculations. Focusing on the AgBeF4 stoichiometry, we identify the five lowest enthalpy polymorphs crystallizing in the C2, P minus 1, and P 21/c space groups. All polymorphs show an
antiferromagnetic ground state, with AgBeF4_4 and AgBeF4_5 exhibiting unprecedented strong superexchange interactions of J equal circa to minus 460meV and J equal circa to minus 359meV respectively. Those high J values are due to the presence of either [Ag2F7] for AgBeF4_4, or related infinite [AgF2/2+2/1]2 minus chains for AgBeF4_5. Although the phases are found to be metastable with respect to binary difluorides, the thermodynamic analysis suggests that they could be targeted via synthetic routes employing fluorine radicals, with reaction enthalpies reaching minus 370 kJ/mol.
Read the full abstract ▾
Materials Science
Polycrystalline ferroelectric croconic acid for multisource environmental energy harvesting
Gloria P. Moreno-Martínez, Hari K. Mishra, Xabier García-Casas et al. (+5 more)
The development of organic ferroelectric materials through scalable and simplified fabrication routes remains a major challenge for next-generation energy-harvesting technologies. Here, polycrystalline croconic acid (CA) thin films are fabricated by
vacuum sublimation onto Ar
plasma-treated flexible substrates and stabilized by in situ encapsulation with an adamantane-based remote
plasma polymer. This solvent-free strategy effectively suppresses surface degradation under ambient conditions, providing long-term stability. Piezoresponse force microscopy confirms robust ferroelectricity with an oblique polarization orientation, well-defined domains, and low nanoscale coercive fields. The films were integrated into multilayer piezoelectric and pyroelectric devices. The piezoelectric performance strongly depends on film thickness, while
embedding the CA layer between dielectric polymeric films significantly improves the macroscopic response, reaching power densities of up to 37 microW m-2 for ca. 2 micrometer CA films. Despite the common assumption that high crystallinity is required to sustain ferro-, piezo-, and pyroelectricity, these polycrystalline CA films exhibit remarkable RT pyroelectricity, a property not previously demonstrated in CA-based devices. A pyroelectric coefficient of ca. 10 microC m-2 K-1 highlights a functional response comparable to that of well-established organic and inorganic pyroelectric materials, demonstrating the potential of CA thin films for thermal energy harvesting. Beyond their functional performance, the proposed low-T fabrication route combines deposition and encapsulation in a single in situ process, simplifying device fabrication. Its compatibility with scalable
vacuum technologies, flexible substrates, and further process optimization makes this approach highly promising for developing low-cost, lead-free, multisource energy-harvesting systems.
Read the full abstract ▾
All authors Gloria P. Moreno-Martínez, Hari K. Mishra, Xabier García-Casas, María Alcaire, Vanda Godinho, Juan R. Sanchez-Valencia, Ana Borras, Angel Barranco
Materials Science
Bright and Dark Excitons in CrSBr: Local Ligand-Field Character and Band-Coherent Optical Selection Rules
Swagata Acharya, Jessica McDivitt, Dimitar Pashov et al. (+3 more)
Magnetic van der Waals
semiconductors such as CrSBr host an intricate
exciton landscape whose physical interpretation has converged only recently. A many-body Feynman diagrammatic approach based on quasiparticle self-consistent GW with electron-hole ladder vertex corrections to the screened Coulomb interaction has established the electronic band gap, excitonic orbital character, real-space extent, binding energies, and bosonic-coupling signatures of the bright XA
exciton near 1.34 eV and the higher XB
manifold near 1.8 eV. These results agree well with ARPES and magneto-optical experiments and supersede the early Rydberg-like assignment of the
excitons. What has remained unresolved is why these intense bright
excitons coexist, within a few tens of meV, with companion states that are several orders of magnitude darker despite drawing from essentially the same single-particle transition
manifold. Here we show that brightness is a band-coherent property of the excitonic eigenfunctions: bright and dark partners are sublattice-symmetric and sublattice-antisymmetric superpositions of the same ligand-field-like Bloch transitions across the two Cr atoms of the orthorhombic primitive
cell. The commonly used Frenkel and Wannier-Mott labels describe what an
exciton is made of, but brightness requires a
symmetry-adapted interference rule between transition dipoles. Disentangling this bare excitonic structure is a prerequisite for interpreting the optical response of CrSBr once
magnon,
phonon, and
photon couplings are included.
Read the full abstract ▾
All authors Swagata Acharya, Jessica McDivitt, Dimitar Pashov, Mark van Schilfgaarde, Justin C. Johnson, Jeffrey L. Blackburn
Superconductivity
Signature in sound-mode of the exciton bilayer two-dimensional superfluid transition
Giovanni Midei, Filippo Pascucci, Milorad V. Milosevìc et al. (+3 more)
Obtaining definitive evidence of
exciton superfluidity in electron-hole
bilayers in zero
magnetic field remains a major longstanding challenge since the condensate is electrically neutral, making its phase coherence difficult to detect directly. We show that the Anderson-Bogoliubov sound velocity provides a dynamical signature of
exciton superfluidity. Across the BCS-BEC crossover, the velocity is known to discontinuously drop to zero at the Berezinskii-Kosterlitz-Thouless (BKT) transition. The magnitude of the drop has a strong density dependence. We compute this behavior, with the inclusion of finite-temperature screening, and determine the BKT transition using a renormalization-group approach. We further identify a temperature window which is experimentally accessible, where
vortex-antivortex excitations strongly renormalize both the sound velocity and the transition temperature.
Read the full abstract ▾
All authors Giovanni Midei, Filippo Pascucci, Milorad V. Milosevìc, Jacques Tempere, David Neilson, Andrea Perali
Materials Science
Bond, orbital and spin order in d4/d6/d7 perovskite oxides: successes and limitations of foundation interatomic potentials
Swagata Acharya, Dimitar Pashov, Mark van Schilfgaarde et al. (+1 more)
Foundation machine-learning interatomic potentials (MLIPs) are rapidly replacing density-functional theory (DFT) for modeling structure and
nuclear dynamics, making their fidelity in strongly correlated systems an urgent question. We test three foundation potentials on the low-temperature order of three correlated, isostructural ABO3 perovskite
oxides: LaMnO3 (d4), LaCoO3 (d6), and NdNiO3 (d7). We run molecular dynamics for 1 ns on 80- and 160-atom supercells from 50 to 300 K with no system-specific training. These
oxides expose three distinct classes of low-temperature order that define a hierarchy of difficulty for the potentials. The scalar class, represented by NdNiO3, has a simple
geometric fingerprint and is captured. The vector class, represented by LaMnO3, requires identifying which Cartesian axis carries the long bond at each site, and is captured in magnitude but not in
symmetry. The on-site class, represented by the low-
spin to high-
spin crossover in LaCoO3, is a purely local multiplet population shift with no spatial order parameter and remains inaccessible to present-day MLIPs.
Read the full abstract ▾
All authors Swagata Acharya, Dimitar Pashov, Mark van Schilfgaarde, Alin M. Elena
Quantum Gases
Rotation Sensing via Josephson-frequency Splitting in a Toroidal Superfluid
Giulio Nesti and Luca Pezzè
We show that a toroidal superfluid interrupted by $n$ tunneling barriers realizes a compact Josephson gyroscope with an $n$-enhanced response to rotation. In the small-amplitude regime, we derive analytically the normal mode spectrum of the coupled population-phase oscillations. In the absence of rotation, pairs of modes are degenerate: a finite angular velocity $\Omega$ lifts this degeneracy through a Doppler shift, producing a frequency splitting that grows linearly with both $\Omega$ and $n$. Full numerical simulations confirm this prediction and reveal long-lived two-frequency beatings, in sharp contrast with the monochromatic Josephson oscillations of the nonrotating system. These beatings provide a direct rotation signal with estimation uncertainty scaling as $\Delta\Omega \sim n^{-3/2}$, while remaining robust against imperfections and dynamical excitations. These results identify multi-junction toroidal superfluids as scalable, micrometer-size rotation sensors compatible with current experimental platforms.
Read the full abstract ▾
Materials Science
Interplay between Electronic Structure, Chemical Bonding, and Lattice Symmetry in Bismuth Vanadate
Philip Schwinghammer, Franziska S. Hegner, Frederico P. Delgado et al. (+5 more)
Bismuth vanadate (BiVO$_4$) is a prototypical
oxide photocatalyst that occurs in both tetragonal and monoclinic scheelite phases with markedly different photocatalytic and photoelectrochemical activities. Accurately identifying the monoclinic phase as the ground state and explaining the origin of its
symmetry-breaking distortion are unusually challenging from a theoretical perspective, with various levels of theory and associated physical interpretations for this behaviour reported in the literature. Here, we resolve these discrepancies by systematically assessing the role of exact exchange with and without
spin-orbit coupling, demonstrating that an accurate treatment of electronic localization is essential to stabilize the monoclinic scheelite structure. Using this framework, we compute the electronic band structure through dense sampling of the Brillouin zone and show that the band edges in monoclinic and tetragonal BiVO$_4$ lie far from conventional high-
symmetry paths, leading to substantial differences in band gaps and carrier effective masses. Choosing the exchange-correlation functional that best reproduces the
crystal structure leads to excellent predictions of the band gap once excitonic and thermal effects are taken into account. In addition, we show that the monoclinic distortion is driven by charge transfer between non-equivalent oxygen sites, which breaks the
lattice symmetry and is suppressed by self-interaction errors when using semi-local DFT. These results establish a direct connection between the exchange-correlation functional, electronic localization, chemical bonding, and structural stability in BiVO$_4$, providing a foundation for robust ab initio descriptions of phase stability and optoelectronic properties in such complex
oxides.
Read the full abstract ▾
All authors Philip Schwinghammer, Franziska S. Hegner, Frederico P. Delgado, Michel Panhans, Konrad Merkel, Frank Ortmann, Ian D. Sharp, David A. Egger
Mesoscale and Nanoscale Physics · Cross-listed from math-ph
Approximate eigenfunctions for some aperiodic crystals
Long Meng
In this paper, we consider a broad class of continuum two-scale
Hamiltonians \begin{align*} H_\varepsilon:=T(-i\nabla_x+\mathbf A(x,\varepsilon x))+V(x,\varepsilon x),\qquad x\in \mathbb{R}^d \end{align*} where $T$ represents either a Dirac operator or a Schrödinger operator, and $x\mapsto \mathbf A(x,X)$ and $x\mapsto V(x,X)$ are $\mathbb L$-periodic with respect to some
lattice $\mathbb L\subset\mathbb{R}^d$. No periodicity assumption is imposed on the second variable $X$. Let \begin{align*} \mathbb{R}^d\times \mathbb{R}^d\ni (k,X) \mapsto h(k,X):=T(-i\nabla_x+k+\mathbf A(x,X))+V(x,X) \end{align*} be a family of operators acting on $L^2(\mathbb{R}^d/\mathbb{L})$ with periodic boundary conditions. We assume only local spectral information near one point $(k_0,X_0)$: an isolated $J$-dimensional Bloch bands at energy $e_0$, possibly with internal crossings, and a Hermitian
matrix-valued homogeneous function of degree $m\in\{1,2\}$. From these data we derive an effective
Hamiltonian $\mathfrak{h}$. Then every sufficiently localized eigenpair $(\vec v,\mu)$ of $\mathfrak{h}$ gives an approximate eigenfunction $\Theta_\varepsilon$ such that for $\varepsilon$ small enough, \[ \|\Theta_\varepsilon\|_{L^2(\mathbb{R}^d)}=|\Omega|^{-1/2}+O(\varepsilon^{1/2}),\qquad \|(H_\varepsilon-e_0-\varepsilon^{m/2}\mu)\Theta_\varepsilon\|_{L^2(\mathbb{R}^d)} =O(\varepsilon^{m/2+1/4}). \]
Read the full abstract ▾
Mesoscale and Nanoscale Physics
Magnetic control of Goos-Hänchen shifts and group delay time in monolayer WSe$_2$
Youssef Fattasse, Rachid El Aitouni, Miloud Mekkaoui et al. (+3 more)
We study the influence of an external
magnetic field on the Goos-Hänchen (GH) shift and the group delay time (GDT) in monolayer WSe$_2$ in the presence of a
magnetic barrier. The transport properties of Dirac-like carriers are obtained by solving the effective low-energy
Hamiltonian and evaluating the corresponding transmission amplitudes. The GH shift and the GDT are subsequently extracted from the phase of the transmission coefficient. We systematically analyze their dependence on the
magnetic field strength, incident energy, angle of incidence, and barrier width, with particular emphasis on the
spin and valley degrees of freedom associated with the $K$ and $K'$ valleys. Our results show that the
magnetic barrier strongly modulates both the GH shift and the GDT, leading to oscillatory behavior and pronounced
spin-valley-dependent transport characteristics. Remarkably, the
magnetic field enables selective control of the lateral shift and traversal time of carriers for each
spin and valley channel, allowing for tunable spatial and temporal separation of electronic wave packets. This provides a mechanism for manipulating fermionic trajectories after transmission through the barrier in a highly controllable manner. Such tunability opens promising avenues for designing nanoscale devices based on
spin and valley filtering, as well as for potential applications in information storage and processing within spintronic and valleytronic platforms.
Read the full abstract ▾
All authors Youssef Fattasse, Rachid El Aitouni, Miloud Mekkaoui, Pablo Díaz, David Laroze, Ahmed Jellal
Mesoscale and Nanoscale Physics
Anomalous Reflection of Caustic Spin-Wave Beams in a Magnonic Waveguide
Franz Vilsmeier and Christian Back
Reflection of waves at interfaces is conventionally governed by Snell's law, which follows from conservation of momentum parallel to the interface. Here we show experimentally that caustic
spin-wave beams in anisotropic media obey a fundamentally different reflection mechanism. Applying time-resolved Kerr microscopy to a yttrium iron garnet waveguide, we observe that reflected beams are selected by transitions between caustic points on the anisotropic iso-frequency contour rather than by momentum conservation. As a consequence, the reflected carrier wave vector and wavefront orientation exhibit trends opposite to those predicted by Snell's law. By tuning the magnitude and orientation of an external
magnetic field, we continuously control the resulting reflection process and beam routing. Our results establish caustic-point transitions as a distinct reflection law for anisotropic wave beams and provide a route towards reconfigurable magnonic beam steering.
Read the full abstract ▾
Mesoscale and Nanoscale Physics
Interplay of Quasiperiodic Criticality and the Non-Hermitian Skin Effect
Zhangyuan Chen, Xianqi Tong and Xiaosen Yang
Quasiperiodic
lattices can host critical eigenstates, whereas nonreciprocal hopping in non-Hermitian
lattices can induce non-Hermitian skin effect. In this work, we investigate localization phenomena in a Hatano–Nelson model with quasiperiodically modulated hopping amplitudes, where nonreciprocity arises from unequal modulation strengths of the right and left hoppings. Using a non-
unitary gauge transformation, we map the non-Hermitian system into a Hermitian quasiperiodic system and obtain an exact analytical expression for the Lyapunov exponent in the thermodynamic limit. Under periodic boundary conditions, inverse participation ratios and finite-size scaling analysis are used to identify the quasiperiodic critical regimes. The comparison shows that parameter regimes hosting quasiperiodic critical states under periodic boundary conditions can exhibit the non-Hermitian skin effect under open boundary conditions. Furthermore, the non-Hermitian skin effect associated with quasiperiodic critical regimes is also observed in representative long-range hopping models and multiband extensions. Our results provide an analytically controlled perspective on how quasiperiodicity, modulated nonreciprocity, and boundary conditions jointly shape the non-Hermitian skin effect in critical regimes.
Read the full abstract ▾
Strongly Correlated Electrons
Emergent Topology from Nonlocal Electronic Correlations in One Dimension
Félix Fossati, Erik Linnér and Evgeny A. Stepanov
We demonstrate that electronic correlations in low-dimensional systems can induce topological phases starting from a topologically trivial noninteracting band structure. Using an advanced cluster-diagrammatic many-body approach applied to the one-dimensional extended Hubbard model, we show that tuning the nonlocal Coulomb interaction drives the emergence of bond-order-wave (BOW) and charge-density-wave (CDW) phases. Despite being interaction-driven and
symmetry-broken, these states admit an effective low-energy single-particle description. In particular, the BOW phase maps onto an effective Su-Schrieffer-Heeger model, while the CDW phase, with subleading bond-order correlations, corresponds to a Rice-Mele model. Both phases exhibit a nontrivial topological character, manifested by the presence of localized edge states. Our results establish a mechanism by which nonlocal electronic correlations generate emergent
topology in correlated systems.
Read the full abstract ▾
Materials Science
Nonlocal Electrostatic Origin of Schottky-Barrier Variability in 2D Contacts
Hangbo Zhou and Yong-Wei Zhang
Electrical contacts often limit the performance of atomically thin
semiconductor devices. The Schottky barrier height (SBH) is conventionally treated as a local interface property, yet reported values for the same metal/2D-
semiconductor contact vary by hundreds of meV. Here we show that, in top contacts, the effective SBH exhibits a pronounced nonlocal electrostatic dependence on defects near the contact edge, beyond the conventional local interface framework. A nonlocal electrostatic model, supported by density-functional-theory-based transport calculations for Ti–MoS$_2$ and Au–MoS$_2$, captures the large, metal-dependent variations in SBH as a function of defect position relative to the contact edge. These results provide a unified explanation for the longstanding variability in experimentally extracted SBHs and establish nonlocal electrostatics, mediated by edge-proximal defects, as a key mechanism governing carrier injection in 2D contacts.
Read the full abstract ▾
Materials Science
Phase stability and ionic transport in post-spinel CaV$_2$O$_4$ cathode
Dereje Bekele Tekliye, Javeed Ahmad Dar and Gopalakrishnan Sai Gautam
Calcium-ion batteries (CBs) represent an alternative to lithium-ion technology but their advancement is limited by the lack of high-performance intercalation cathodes. Identified via computational screening, post-spinel CaV$_2$O$_4$ has emerged as a promising candidate, though its practical application is hindered by limited electrochemical capacity. Hence, we investigate the thermodynamic and ionic transport characteristics of Ca$_x$V$_2$O$_4$ ($0 \leq x \leq 1$) in this work, by integrating the cluster expansion formalism with Monte Carlo simulations and density functional theory based calculations. We construct the temperature-composition phase diagram of Ca$_x$V$_2$O$_4$ revealing several stable phases ($\alpha$ through $\zeta$) that can appear during electrochemical operations at different voltages. Importantly, we observe the formation of the $\varepsilon$ phase at $x \sim 0.83$ across a 370-590~K temperature window via invariant reactions, which agrees with observations in the experimental voltage profiles. Further, migration barrier calculations confirm that Ca mobility is severely impeded within the $\alpha$ ($x \sim 0$) and $\gamma$ ($x \sim 0.5$) phases. With the strong Ca-vacancy ordering contributing to the high barrier in $\gamma$ and the persistent two-phase region stretching across the $\delta$ ($x \sim 0.67$) and the $\gamma$ phases, we expect the accessible electrochemical capacity in the CaV$_2$O$_4$ system to be kinetically limited to at most half the theoretical capacity at 298~K, in agreement with experiments. Strategies including cation doping and particle size reduction can be considered to flatten the potential energy landscape of $\gamma$ and improve Ca mobility. Our computational findings highlight the interplay between stability and transport and provide design strategies that can enable the practical use of CaV$_2$O$_4$ as a CB cathode.
Read the full abstract ▾
Soft Condensed Matter
Viscoelasticity Enhances Contactless Adhesion of Soft Substrates
Marco Rizzo, Jacco H. Snoeijer, Vincent Bertin et al. (+1 more)
Understanding adhesion is essential for describing stability, friction, and interfacial dynamics. Here, we investigate the adhesion force dynamics between a rigid sphere and a soft surface without direct contact, mediated by a viscous fluid. By combining controlled experiments, a first-principles visco-elastohydrodynamic theory, and numerical simulations, we demonstrate that viscoelastic relaxation fundamentally modifies elastohydrodynamic adhesion. Rather than simply dissipating energy, viscoelasticity causes the substrate to behave transiently as a stiffer solid, enhancing the maximum adhesive force, changing the early-time force growth for $t^{2/3}$ to $t^{1/3}$, shortening the interaction time, and giving rise to new scaling laws governed by the Deborah number. The two proposed dimensionless parameters, the softness parameter and the Deborah number, define a unified phase diagram connecting three distinct adhesion regimes: classical Reynolds lubrication, elastohydrodynamic adhesion, and the newly identified visco-elastohydrodynamic regime.
Read the full abstract ▾
All authors Marco Rizzo, Jacco H. Snoeijer, Vincent Bertin, Pascal Damman
Strongly Correlated Electrons
Scalable Simulation of Strongly Correlated Electron-Phonon Systems via Non-Gaussian Matrix Product States
Siyuan Jiang and Tao Shi
We investigate strongly correlated electron-
phonon (e-ph) systems via a non-Gaussian
matrix product state method. By combining non-Gaussian states with
matrix product states, our method efficiently characterizes the intractable
entanglement between strongly correlated electrons and phononic modes of unbounded
Hilbert space, enabling scalable simulations across broad parameter regimes. In one-dimensional generalized Hubbard–Holstein (HH) models, we identify a pronounced tendency toward phase separation (PS), an instability relevant to recent angle-resolved photoemission spectroscopy observations on doped cuprate chain. In two-dimensional HH models, we construct the phase diagram at half-filling featuring a metallic phase emerging from the competition between non-local
phonon-mediated attraction and local Hubbard repulsion. Upon doping, we elucidate the role of soft
phonons in stabilizing stripe phases. In the antiferromagnet, the stabilization of the fully filled stripe is attributed to a local retardation effect, wherein the charge order is pinned by
phonons, leading to a diminished response to
spin fluctuations. In the doped charge-density-wave regime, a novel bipolaronic stripe phase with an enlarged unit
cell is stabilized via a non-local retardation effect, where long-range
phonon-mediated interactions suppress PS. Our work establishes a systematic route to decoding the e-ph interplay that is crucial for superconductivity.
Read the full abstract ▾
Materials Science
Perpendicular magnetic anisotropy tuning of macrospin-to-vortex transitions in Co-based artificial spin-vortex ice
Yu Maruyama, Amrit Kumar Mondal, Bijaya Kharel et al. (+4 more)
We investigate the macrospin-to-
vortex (MS-to-V) transition in Co-based artificial
spin-
vortex ice (ASVI) in the presence of perpendicular
magnetic anisotropy (PMA) by
spin-wave spectroscopy. Detailed micromagnetic simulations using mumax3 reveal that the PMA modifies the
magnetic energy landscape and facilitates
vortex formation, suggesting that PMA can enhance the transition probability. To seek experimental validation of this hypothesis, we prepared Ti (3 nm)/Co (10 nm)/Ti (3 nm)/Pt (2 nm) (TCT) and Ti (3 nm)/Co (10 nm)/Pt (2 nm) (TCP) multilayer stacks. Vibrating sample magnetometry measurements confirm that the TCP film exhibits a larger PMA than the TCT film. Using these stacks, we then investigate the MS-to-V transition probability in ASVIs and found that TCP ASVIs exhibit a higher transition probability than TCT ASVIs, in agreement with the simulation prediction. These findings identify PMA as an effective design parameter for controlling
vortex formation in ASVIs and provide a promising route toward task-dependent tuning of fading-
memory properties for physical reservoir computing based on artificial
spin lattices.
Read the full abstract ▾
All authors Yu Maruyama, Amrit Kumar Mondal, Bijaya Kharel, Ryo Ohshima, Jorge Puebla, M. Benjamin Jungfleisch, Masashi Shiraishi
Soft Condensed Matter
Basin-volume distributions in monodisperse particle packings – the soul of memory
Varda F. Hagh, Zhaoning Liu and Sidney R. Nagel
Mechanically stable packings of $N$ particles in $d$ dimensions lie at the minima of an $Nd$-dimensional potential energy landscape. Starting from random initial particle positions, the system can relax using gradient-based optimization until it arrives at one of the
equilibrium states; all initial conditions that end at the same minimum belong to the same catchment basin. We measure the distribution of the catchment basin volumes for indistinguishable monodisperse soft spheres in both $d=2$ and $d=3$. Ordering the basins at each system size, $N$, according to their volume, $P_N(n)$, from the largest at $n=1$ to smaller at larger $n$, we find a very wide distribution of volumes which is similar in both dimensions: $P_N(n) \approx A_Nn^{-\alpha}$ with $\alpha \approx 1$ which, in our most favorable cases, extends over $7$ decades. We explore aspects of the connectivity of the basins, show that their structure is highly contorted, and demonstrate how these results may be used to understand the imprinting of
memories in cyclic strain studies of solids.
Read the full abstract ▾
Materials Science
Helically Enhanced Chiroptical Response and Symmetry Breaking in Conjugated Polymers
Aaron Forde, Braden M. Weight, Prashanna Poudel et al. (+5 more)
Chiral $\pi$-conjugated
polymers are an attractive material platform for
spin polarized carrier-transport and spectroscopy, but fundamental considerations for how torsional disorder influences the response properties of the material have not been considered. Here we combine atomistic electronic structure modeling with with experimental spectroscopic measurements to examine
symmetry breaking in the prototypical $\pi$-conjugated
polymer polyacetylene, (CH)$_x$.
Chiral (CH)$_x$ oligomers are generated in distinct conformations which differ in their out-of-plane tonsorial ordering. We find that a helical conformation introduces orders of magnitude enhanced chiroptical activity due to a solenoid effect. This effect is visualized by the Transition
Chiral Tensor analysis which shows signatures of domain ordering which eliminates destructive interference between electric and
magnetic contributions. These findings highlight the capability to develop a hierarchical interpretation relating local, fragment
symmetry breaking to global, nonlocal interactions governing chiroptical response in emerging
chiral materials.
Read the full abstract ▾
All authors Aaron Forde, Braden M. Weight, Prashanna Poudel, Avadh Saxena, Zeev Valy Vardeny, Christoph Boehme, Alan Bishop, Sergei Tretiak
Soft Condensed Matter
Active Particles Imprint Persistent Percolating Networks in Polymer Condensates
Ligesh Theeyancheri, Jennifer L. Ross and J. M. Schwarz
Fluid condensates readily exchange components and reorganize, and in doing so typically erase structural history. Using simulations of sticker-spacer
polymers in an active particle bath, we show that activity drives condensates from compact droplets into system-spanning percolated networks by enhancing interchain connectivity, suppressing intrachain collapse, and increasing topological constraints through interchain winding. The network persists after the active particles are removed, despite continued
polymer exchange and contact turnover, revealing a fluid-like state with activity-induced topological imprinting. Hence, activity can write long-lived structural organization and
memory into fluid condensates.
Read the full abstract ▾
Disordered Systems and Neural Networks · Cross-listed from cs.LG
An exact information theory of generalization phase transitions in Bayesian diffusion models
Henry Hunt, Mason Kamb and Surya Ganguli
How
diffusion models circumvent the curse of dimensionality to learn complex distributions over high dimensional spaces from a finite training set, instead of memorizing it, remains a fundamental mystery. To address this, we introduce analytically tractable
Bayesian information restricted
diffusion (BIRD) models, in which each pixel observes restricted information about noisy data. A BIRD model time-reverses
diffusion by inferring which past training sample produced its current restricted observation using the
Bayesian posterior. This model class generalizes existing analytical
diffusion models that use spatially local information restriction. We show that spatially local BIRD models closely approximate trained
diffusion models early in training, across different architectures such as UNets and DiTs. Under minimal assumptions on the data distribution, we identify an information-theoretic phase boundary between memorization and generalization in the joint space of amount of training data, time in the reverse generative process, and amount of information restriction: a BIRD model memorizes when the mutual information between its restricted noisy observations and the training data exceeds the log number of training points, and it generalizes otherwise. Experiments across a range of
datasets confirm our theoretically predicted location for the transition. We find that generation proceeds near the edge of memorization: both spatially local BIRD models and early-training
diffusion models track the memorization-generalization phase boundary by increasingly restricting information over time. Overall, our results reveal a fundamental role for information restriction in generative AI to circumvent the curse of dimensionality.
Read the full abstract ▾
Disordered Systems and Neural Networks · Cross-listed from quant-ph
Robust Quantum Learning through Hamiltonian Reservoir Computing
Youya Xu, Chengyong Yu and Sanjib Ghosh
Quantum learning provides a versatile paradigm for information processing by exploiting the intrinsic representational capacity of high-dimensional
Hilbert spaces. Here, we investigate a
Hamiltonian-encoding framework for
quantum reservoir computing that simultaneously addresses three key challenges in
quantum learning: trainability, hardware efficiency, and information stability. In this framework, input data are directly mapped onto a fixed
Hamiltonian and transformed into expressive nonlinear features through
quantum dynamical
evolution. By employing the reservoir-computing paradigm, the approach naturally circumvents the barren plateau problem in
quantum learning landscapes. We validate the framework across two complementary platforms: an analog superconducting array processor and a digital gate-based
quantum circuit implementation. Despite their fundamentally different realizations, both platforms exhibit comparable representational power and achieve competitive learning performance, establishing a unified framework for cross-platform
quantum learning. While both implementations achieve comparable performance, the analog processor may offer a more hardware-efficient realization by bypassing the temporal overhead of gate-based decomposition and thereby making more effective use of finite coherence times, albeit at the expense of universality. Furthermore, we find that finite dissipation suppresses
quantum-scrambling-induced instabilities at long
evolution times and can enhance learning performance, revealing a constructive role for environmental coupling in stabilizing
quantum learning dynamics. Collectively, these results establish
Hamiltonian-encoded reservoir computing as a compact, expressive, and hardware-efficient paradigm for
quantum learning on current-generation
quantum platforms.
Read the full abstract ▾
Materials Science
Interfacial chirality-induced magnetic-field-free switching with high energy efficiency in all-vdW heterostructures
Kai-Xuan Zhang, Suik Cheon, Seungbok Lee et al. (+12 more)
Chirality, a central concept across many scientific disciplines, continues to inspire the discovery of novel physical phenomena. In condensed matter physics, structural chirality - defined by the absence of mirror plane
symmetries - has primarily been explored in bulk materials. However, new
chiral phenomena can emerge uniquely at the interface, distinct from their bulk counterparts, when a
chiral material forms a
heterostructure. Here, we demonstrate that all van-der-Waals (vdW)
heterostructure composed of the
chiral Co1/3TaS2 and the achiral vdW ferromagnet Fe3GeTe2 exhibits two distinct and unconventional
spin-orbit torques originating from the interfacial chirality. These torques enable
magnetic-field-free switching of perpendicular magnetization with ultralow current density ~ 10^6 A/cm^2 and minimal power dissipation < 10^15 W/m^3. Moreover, by replacing Fe3GeTe2 with a similar vdW ferromagnet, Fe3GaTe2, but of higher Curie temperature, we achieved the
magnetic-field-free switching at room temperature in the Fe3GaTe2/Co1/3TaS2 vdW
heterostructure. Our findings establish interfacial chirality as a powerful new handle for spintronic control, opening a new pathway to explore chirality-induced phenomena beyond the bulk
symmetry constraints - and paving the way toward highly efficient, low-power spintronic devices based on all-vdW
heterostructures.
Read the full abstract ▾
All authors Kai-Xuan Zhang, Suik Cheon, Seungbok Lee, Joonyoung Choi, Jihoon Keum, Hyuncheol Kim, Yeochan An, Woonghee Cho, Suhan Son, Jingyuan Cui, Pyeongjae Park, Younjung Jo, Jun Sung Kim, Hyun-Woo Lee, Je-Geun Park