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Physics Condensed Matter

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Tuesday 7 July

Disordered Systems and Neural Networks

Electron-Phonon Dephasing in Ultrathin Disordered Films: From Power Laws to Diagnostic Maps

Electron-phonon dephasing in ultrathin disordered metallic films is often summarized by a power law, $\tau_{e-ph}^{-1}=AT^p$. However, thin metals, alloys, and superconducting films exhibit effective exponents close to 2, 3, and 4, as well as intermediate nonuniversal values. We argue that in ultrathin supported films, the exponent should be treated not as a universal material constant, but as a crossover observable. Its interpretation requires several coordinates: the clean-to-dirty parameter $q_T l$, phonon confinement and film-substrate acoustic coupling, and the microscopic character of disorder. The diagnostic picture is illustrated using Ar-ion-irradiated Au films as a controlled-disorder series. In these films, the fitted electron-phonon exponent remains near $p\simeq 2$ for low values of the pure-dirty crossover temperature $T_{tr}\simeq \hbar s/(k_B l)$ and increases toward $p\simeq 2.8$ as disorder increases. At the same time, the prefactor trend indicates suppression of electron-phonon scattering with decreasing mean free path, consistent with dirty-limit weakening rather than static-disorder enhancement. The persistence of $p<4$ points to the role of thin-film or film-substrate phonon effects. The resulting diagnostic map provides a compact framework for comparing electron-phonon dephasing data in ultrathin disordered films.
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Strongly Correlated Electrons

CE-antiferromagnetic electronic structure in LaSr$_2$Mn$_2$O$_7$ revealed by micro-focused angle-resolved photoemission spectroscopy and tight-binding models

We have investigated the electronic structure of LaSr$_2$Mn$_2$O$_7$ in the CE-type antiferromagnetic (CE-AFM) state below the Néel temperature using micro-focused angle-resolved photoemission spectroscopy ($\mu$-ARPES) and tight-binding models. In agreement with the tight-binding calculations, we found a dispersive intensity around the X point in the $\mu$-ARPES spectra, where the A-type antiferromagnetic (A-AFM) phase has no bands experimentally and theoretically, demonstrating that we have successfully captured the signatures of the CE-AFM band structure for the first time. Many observed features can be explained by the CE-AFM tight-binding bands, although some of them and the overall near-Fermi level intensity mapping can be explained by the A-AFM band structure. This indicates that the CE-AFM domain size would be no larger than the beam footprint size of a $\sim\!20$~{\textmu}m scale.
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All authors Yasutaka Sawata, Yudai Hirai, Rintaro Miyabayashi, Goro Shibata, Hideki Kuwahara, Miho Kitamura, Koji Horiba, Kenichi Ozawa, Noriaki Hamada, Tomohiko Saitoh

Materials Science

Modelling the mean inner potential of alloyed and strained materials

In this publication, we study the influence of strain and alloying on the mean inner potential (MIP) using density functional theory (DFT) within an augmented plane waves plus local orbitals basis set. Two major effects have been identified allowing to model the influence of strain and alloying on the mean inner potential with a reasonable accuracy. First, alloying for constant volume results in a linear relationship between the MIP and the concentration. Second, the MIP scales with changes in volume as we already pointed out in an earlier publication (M. Schowalter, D. Lamoen, A. Rosenauer, P. Kruse, and D. Gerthsen, Appl. Phys. Lett. 85, 4938-4940 (2004)). Specifically, a linear relationship between MIP and concentration x was found for AlGaAs (nearly no change in lattice parameter), whereas InGaP and GeSi (volume changes with concentration x) exhibits a clear bowing. The bowing can be modeled by taking the rescaling of the MIP with the varying volume additionally into account. The rescaling could be also used to model the dependence of the MIP on strained binary cells and the density dependence of e.g. amorphous materials.
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Materials Science

Orientation-resolved ultrafast spin reorientation dynamics in ferrimagnetic DyCo$_5$

Under quasi-static conditions, ferrimagnetic DyCo$_5$ thin films exhibit a thermally induced spin-reorientation transition, in which the equilibrium magnetization changes from an out-of-plane to an in-plane orientation, mostly as a result of the competing magnetic anisotropy contributions of the Dy $4f$ rare-earth and Co $3d$ transition-metal sublattices. While this equilibrium transition has been studied, it remains an open question whether such a reorientation can be triggered on ultrafast timescales using femtosecond laser excitation. In this work, we investigate the ultrafast spin-reorientation dynamics in DyCo$_5$. The time-dependent orientation of the magnetization vector following femtosecond laser excitation is quantified by combining polar with transverse magneto-optical Kerr effect (MOKE) measurements in the extreme ultraviolet spectral range, which are sensitive to the out-of-plane and in-plane magnetization component, respectively. Both techniques are implemented at the Co M$_{3,2}$ resonance and are complemented by visible-light MOKE measurements. This combined approach allows us to resolve the canting of the magnetization from an out-of-plane toward an in-plane orientation and to determine the characteristic timescales of the transient spin-reorientation process.
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All authors Johanna Richter, Martin Hennecke, Martin Schmidbauer, Ilie Radu, Clemens von Korff Schmising, Stefan Eisebitt

Other Condensed Matter · Cross-listed from physics.optics

Exact flat bands in a 3D photonic crystal

Photonic flat bands are hard to engineer because Maxwell's equations are vectorial: transversality obstructs the localized scalar-like bases that generate destructive-interference flat bands in tight-binding models. We show that a three-dimensional metallic network of dipolar cavities joined by waveguide channels–a fully vectorial photonic crystal belonging to space group No. 224–hosts an exact scalar sector, carrying exact flat bands. The twelve-band vector problem contains one self-adaptive radial dipole axis per site whose projection is exactly the scalar four-band Hamiltonian of the same network. A microwave-scale coupled-dipole calculation confirms this scalar-vectorial duality. The result is a symmetry-based design rule for scalar-like flat bands in reciprocal vector media.
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All authors Kin Hung Fung, Yan-Long Chen, C. T. Chan, Qinghua Guo

Mesoscale and Nanoscale Physics

Interfacial Noncollinear Filtering of Spin Hall Currents

Spin Hall currents generated in nonmagnetic materials are conventionally regarded as bulk responses whose polarization is fixed by crystal symmetry. This view has motivated the search for intrinsically low-symmetry spin sources when unconventional spin polarizations are required. Here we point out that, in realistic heterostructures, the device-relevant quantity is not the fully symmetry-averaged bulk spin Hall current, but the emitted spin current transmitted across the interface. We therefore establish emitted spin currents as bulk-interface hybrid responses and propose interfacial noncollinear filtering as a mechanism to bypass the bulk-symmetry constraint. A low-symmetry interfacial spin-orbit field, generally noncollinear with the momentum-resolved spin polarization of the incident spin Hall current, imposes spin-dependent transmission and converts hidden momentum-resolved spin-polarization components into an observable unconventional emitted spin current. Using both a rotationally symmetric minimal model and a realistic high-symmetry Dirac-semimetal model, we show that conventional spin Hall sources can emit sizable out-of-plane spin currents when their hidden bulk spin Hall textures are selectively transmitted by the interfacial spin-orbit field. Our results reveal that spin-current polarization emerges from the cooperative action of bulk and interfacial responses, providing a strategy for reprogramming spin-current polarization in high-efficiency, CMOS-compatible spin Hall materials without relying on intrinsically low-symmetry bulk crystals or external symmetry-breaking schemes.
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All authors Dan-Yang Han, Zi-An Wang, Hong-Liang Chen, Bo Li, Wen-Jian Lu, Yu-Ping Sun, Liang Liu, Shu-Hui Zhang, Ding-Fu Shao

Mesoscale and Nanoscale Physics

Machine learning prediction of the convergence criterion for a topological invariant of finite non-Hermitian chains

A topological invariant based on polar-decomposition of matrices correctly captures the topology of finite non-Hermitian chains exhibiting the non-Hermitian skin effect, provided that an appropriate crop-length parameter is chosen. This parameter, which sets the cutoff used in the calculation of the invariant, is usually chosen empirically and becomes especially important near topological phase transitions, where finite-size effects are strongest. Here we show that the required crop-length is controlled by physical decay (localization) lengths. For nearest-neighbor and pure longer-range hopping Hatano-Nelson-type chains, the crop-length is set mainly by a single localization length and is well approximated by a scalar multiple of that length. For more general longer-range hopping models, it is governed instead by a multichannel root structure of the characteristic polynomial. Random-forest regression captures finite-size and near-boundary corrections while preserving this decay-length interpretation. Trained on one set of Hamiltonians, the predictor accurately generalizes to unseen Hamiltonians and complex base energies, reproducing crop-lengths across full phase diagrams. We further show that the predictions learned from clean nearest-neighbor hopping chains remain stable under moderate hopping disorder. These results provide a practical and physically interpretable way to choose the crop-length, which in turn determines when the real-space invariant can reliably capture the topology of finite non-Hermitian chains.
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Superconductivity

Microscopic theory of the lower critical field in superconducting thin-film strips

The lower critical field $B_{c1}$ of a narrow superconducting thin-film strip sets the thermodynamic scale for vortex-free operation in a perpendicular magnetic field. The standard Pearl–London estimate requires a phenomenological vortex-core cutoff, because the London theory does not resolve the core. We formulate a microscopic theory for a dirty strip by solving the two-dimensional Usadel equations in the film plane, with the applied field included directly in the gauge-invariant momentum. Self-consistent vortex and Meissner solutions are computed at fixed field, and $B_{c1}$ is obtained from their Gibbs-energy difference. The calculation resolves the vortex core and its finite-width deformation without introducing a cutoff. The resulting vortex self-energy is larger than the naive Pearl–London estimate and cannot, in general, be represented by a London logarithm with a single width-independent cutoff. The formulation applies at any $T<T_c$ and provides a microscopic basis for predicting $B_{c1}$ in superconducting nanostrips and related thin-film devices.
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Superconductivity

Chiral-Structured Superconductors TrX4 (Tr = Rh, Ir; X = Ge, Si): A Platform for Mixed-Parity Pairing and Topological States

Chiral-structured superconductors, with simultaneous broken mirror and inversion symmetries, promote unconventional superconductivity through parity-mixing mechanisms. Yet a few bulk chiral-structured superconductors are known, partly due to the difficulty in directly determining their atomic-scale chirality. Here we report three chiral-structured superconductors, , RhGe4, IrGe4, and IrSi4, synthesized under high pressure, with Tc values of about 1.6 K, 1.1 K, and 2.5 K, respectively.Using atomic resolution Cs-corrected scanning transmission electron microscopy (STEM) combined with X-ray diffraction characterizations, we directly confirm their chiral structure (space group P3121). This real space imaging approach overcomes ambiguities in traditional diffraction based methods. These materials exhibit type-II superconductivity, and the enhancement of spin-orbit coupling (SOC) leads to the emergence of mixed parity pairing. Calculations also reveal symmetry protected Weyl points near the Fermi level, which is robust against the SOC. Our work not only expands the family of chiral-structured superconductors but also demonstrates the indispensable role of STEM in directly determining chiral crystal structures. These materials thus offer a clean platform to explore the interplay among structural chirality, SOC, mixed parity superconductivity, and topological quantum phenomena.
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All authors Zhenhai Yu, Yunguan Ye, Yuwei Zhou, Chaoyang Chu, Congcong Le, Lin Wu, Jian Yuan, Tong Shi, Qingxin Dong, Jinggeng Zhao, Wei Xia, Xiangqi Liu, Xia Wang, Bosen Wang, Jinguang Cheng, Yanhang Ma, Xianxin Wu, Xiangang Wan, Huiqiu Yuan, Yanfeng Guo

Soft Condensed Matter

Spatially heterogeneous noise restructures flocking into geometry-locked and vortex states

Spatially heterogeneous environments continually challenge the ability of active matter to sustain coherent collective motion. Understanding how collective motion remains robust under changing environments is central to both the functioning of biological systems and the design of smart active matter. Here, we extend the Vicsek model to include a circular non-noisy region surrounded by a noisy environment - a configuration in which the noise difference sets up a contrast in local directional order between the two regions. We find that, as the surrounding noise is increased, the system passes through three distinct dynamical regimes: (i) conventional global flocking at low noise; (ii) geometry-locked motion, aligned with simulation boundaries, at intermediate noise; and (iii) vortical motion within the non-noisy region at high noise. Extending the environment to multiple non-noisy regions, we find that the geometry-locked regime can develop a directional coupling, while the vortex mode leads to antiferromagnetic order between the regions. Taken together, our results demonstrate that the spatial modulation of order and disorder offers a powerful and generic strategy for steering active matter, aligning with recent experimental observations of active particles in patterned landscapes.
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Disordered Systems and Neural Networks

Autoencoder-Based Unsupervised Identification of Nonequilibrium Phases in Sheared Binary Colloids

Identifying nonequilibrium phases in particle systems remains a major challenge because they often exhibit complex and spatially heterogeneous structures without long-range order. Here, we develop an unsupervised machine-learning framework for classifying such nonequilibrium phases by integrating Fourier-based preprocessing, an autoencoder, and a Gaussian mixture model (GMM). Specifically, we transform global spatial configurations into Fourier space and use the amplitudes of Fourier coefficients as inputs to the autoencoder. This preprocessing suppresses spatial noise while preserving phase-specific structural features and physical interpretability. We demonstrate the effectiveness of this framework using a binary charged colloidal system under steady shear flow, where the competition between Coulomb interactions and shear gives rise to three nonequilibrium phases characterized by distinct local structures. The encoded latent space reveals well-separated clusters that are robustly identified by the GMM, enabling the construction of a nonequilibrium phase diagram based on cluster membership probabilities. The resulting phase boundaries are consistent with those independently obtained from radial distribution function analysis and unsupervised anomaly detection. These results demonstrate that autoencoder-based unsupervised learning provides an effective framework for identifying nonequilibrium phases in complex particle systems.
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Strongly Correlated Electrons

Local moment magnon spectrum in conduction electron tunnelling

The surface tunnelling spectrum of a dual system consisting of localised moments with antiferromagnetic order coupled to conduction electrons by on-site exchange interaction is investigated. In the static approximation of the local moment order it is known that magnetic band reconstruction leads to an anomalous tunnelling spectrum at the magnetic ordering vector of local moments although the latter cannot contribute directly. In this work we consider dynamic effects by including the scattering of conduction electrons from the local moment magnon excitations. They lead to self energies and renormalisation of conduction states which in turn appreciably modify the tunnelling spectrum beyond the influence of static order, interpreted as the appearance of magnon sidebands.
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Mesoscale and Nanoscale Physics

Floquet polaritons in optically driven materials

Polaritons are coupled collective modes of light and matter in quantum materials. In modern pump-probe experiments, a pump light pulse may dramatically alter the properties of the polaritons, rendering them Floquet polaritons that can be detected by a probe pulse. We present a practical framework to describe Floquet polaritons in terms of the linear and nonlinear optical properties of the material. The central quantity that yields the spectra of Floquet polaritons is an effective linear optical susceptibility contributed by the pump through nonlinear optical susceptibilities. We apply this method to graphene and show that via its third-order optical nonlinearity, infrared pump leads to Floquet plasmon bands. Notably, near plasmonic band crossings, parametric instability leads to flat bands with unstable modes and exceptional points that closely resemble those of non-Hermitian systems. As a second example, we show that in hexagonal boron nitride pumped by mid-infrared laser, the pump induces Floquet phonon polariton bands via phononic nonlinearity, which can be detected with either far-field or near-field optical technique. Finally, in layered superconductors pumped by THz light polarized along the out-of-plane direction, the Josephson-type optical nonlinearity leads to Floquet Josephson plasmons, which manifest as new peaks in the THz reflectivity of a probe pulse.
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All authors Tsan Huang, Teng Xiao, Jiahua Duan, Haoliang Qian, Zhiyuan Sun

Materials Science

Anomalous Piezoelectricity from Polarization-Dependent Electrostriction in Wurtzites

The piezoelectric coefficient is a third-rank tensor connecting the strain or stress with the electric field or polarization, whereas the electrostriction coefficient is a fourth-rank tensor relating the strain to the square of electric polarization. The electrostriction tensor components in the current literature are often treated as constants independent of polarization, resulting in piezoelectric tensor components that are linearly proportional to polarization and the dielectric susceptibility tensor. Here, we study the electrostriction and piezoelectricity in strongly polar wurtzites, including AlN, Al$_{1-x}$Sc$_x$N, Al$_{1-x}$B$_x$N, GaN, and ZnO. We discover that electrostriction and the elastic modulus in wurtzites are both strongly polarization-dependent, and the piezoelectric coefficient is highly nonlinear with respect to polarization, including the anomalous possibility that decreasing polarization increases the electromechanical strain response. These unusual dependencies of electrostriction and piezoelectric effects on polarization arise from the evolution of a layered reference nonpolar structure toward a tetrahedrally coordinated wurtzite network structure as the polarization increases. The findings have important implications in understanding the thermodynamics of the general class of wurtzite ferroelectrics and in manipulating their piezoelectric and ferroelectric behaviors.
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All authors Guo-Dong Zhao, Aiden Ross, Yueze Tan, Yujie Zhu, Jia-Mian Hu, Long-Qing Chen

Materials Science

Efficient Bethe-Salpeter Equation Calculations Based on Numerical Atomic Orbitals and Norm-Conserving Pseudopotentials: Dual-${\boldsymbol k}$-Mesh Strategy

We present an efficient implementation of the Bethe–Salpeter equation (BSE) based on numerical atomic orbitals (NAOs) and norm-conserving pseudopotentials within the ABACUS+LibRPA framework. By exploiting the localized resolution-of-identity (LRI) technique, the screened Coulomb interaction is cast into a real-space, unit-cell-indexed form $W_{\mu\nu}(\boldsymbol R)$ that is inherently short-ranged and well localized. This spatial locality enables an efficient Fourier interpolation of the BSE kernel from the coarse $\boldsymbol k$-mesh used in the preceding $GW$ calculation to an arbitrarily dense $\boldsymbol k$-mesh on which the BSE Hamiltonian is assembled and diagonalized, thereby giving rise naturally to a dual-$\boldsymbol k$-mesh workflow. Building on this scheme, we systematically examine the convergence of the absorption spectra with respect to the NAO basis set, the auxiliary basis set, and the $\boldsymbol k$-point sampling. Benchmark calculations for both molecular and periodic systems collectively validate the accuracy of the present implementation and establish the dual-$\boldsymbol k$-mesh strategy as a practical and reliable approach for $GW$+BSE calculations.
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All authors Ziqing Guan, Yu Cao, Min-Ye Zhang, Peize Lin, Ruiyi Zhou, Xinguo Ren

Soft Condensed Matter

Dynamical crossover from motor-dominated to drag-dominated transport in a minimal active transport network

Motor-driven intracellular transport is often described in terms of motor activity, but macroscopic transport also depends on how effectively motor-generated force is converted into coherent motion. Motivated by cytoplasmic streaming, a minimal active transport network is examined in which motor-driven transport competes with an effective slip-related dissipative resistance. The model is not intended as a quantitative reconstruction of Nitella cytoplasmic streaming, but as a minimal system for isolating the relation between motor activity, resistance, and transport output. A controlled scan over $\gamma_{\mathrm{Slip}}$ and $\alpha_m$, with three independent seeds per condition, shows that increasing $\gamma_{\mathrm{Slip}}$ strongly suppresses mean transport speed while leaving the motor-bound fraction nearly unchanged. The mean load and motor force remain finite in the high-$\gamma_{\mathrm{Slip}}$ regime, indicating that motors remain mechanically active even when transport is suppressed. The dependence of transport speed on $\alpha_m$ progressively disappears with increasing $\gamma_{\mathrm{Slip}}$: the motor dominance ratio decreases from $R\approx1.69$ to $R\approx1.01$, and the corresponding velocity difference decreases from $\sim1.9~\mu\mathrm{m/s}$ to $\sim0.003~\mu\mathrm{m/s}$. These results indicate a dynamical crossover from motor-dominated to drag-dominated transport. The minimal model provides a compact physical scenario in which active force generation persists while its contribution to net transport is suppressed by increased effective dissipative resistance.
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Mesoscale and Nanoscale Physics

Engineering nonlinear magnon scattering in artificial spin ice via vertex dipolar control

Artificial spin ice (ASI), composed of geometrically frustrated arrays of interacting nanoislands, provides a versatile platform for reprogrammable magnonic functionality. However, the commonly used geometric control parameters such as island length, width, and aspect ratio simultaneously modify the island footprint, inter island dipolar spacing, and shape anisotropy, making it difficult to tune the nonlinear response independently of the linear spectrum and lattice density. Using micromagnetic simulations of kagome ASI under strong microwave drive, we identify edge curvature as a geometric degree of freedom that separates nonlinear magnon scattering from the island footprint. Sharp tipped islands predominantly generate integer harmonics, whereas dumbbell shaped tips produce a transition toward subharmonic rich spectra by concentrating demagnetizing and exchange fields near the island ends without changing the overall island volume or lattice spacing. By mapping the curvature and drive parameter space, we identify a continuous threshold for subharmonic onset controlled by tip curvature. We further show that the angular dependence of the second harmonic amplitude reverses between sharp and dumbbell geometries, providing an experimentally accessible signature of curvature localized nonlinearity. Width and leg length asymmetry can also modify harmonic amplitudes, but they do not remove the intrinsic trade off between footprint and coupling. These results establish tip curvature as a footprint preserving design parameter for engineering nonlinear magnon scattering in ASI, with implications for reconfigurable magnonic devices.
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Materials Science

From Closed-Loop Optimization to Open Decision Making: Coupled Digital Twins for Predictive and Autonomous Microscopy

Automated experimentation is moving from closed-loop optimization toward open decision-making, where human or AI planners must forecast the consequences of candidate actions before executing them. Such forecasts require a model of both sides of the experiment: how the sample is likely to respond and what the instrument is likely to detect. We therefore introduce a coupled digital-twin framework that separates these roles and then links them. In this framework, the sample twin encodes material state inferred from prior knowledge and measurements till the moment. The instrument twin captures signal formation, feedback dynamics, and operating constraints based on prior knowledge. When coupled, the two twins estimate expected outcomes, uncertainty, and risk for candidate microscope operations. For amplitude-modulation scanning probe microscopy, we realize this framework with a physics-informed encoder of force-distance curves, a deterministic scanner model of cantilever and feedback dynamics, and sparse learned residual corrections. The encoder first recovers scanner-driving descriptors with sub-nanometer accuracy. The calibrated scanner then reproduces typical traces within a few nanometers and identifies operating-point noise amplification as the main source of mismatch. Supplementary phase analysis localizes residual error to the phase channel, which clarifies where added physics is needed. Together, these results establish coupled sample and instrument twins as a practical foundation for predictive microscope operation and autonomous experimental planning.
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All authors Yu Liu, Boris Slautin, Ian Mercer, Jon-Paul Maria, Sergei V. Kalinin

Superconductivity

Magnon-Mediated Superconductivity in a 2D Itinerant Ferromagnet with Weak Easy-plane Magnetic Anisotropy

Motivated by recent observations of superconductivity in a quarter-metal state of spin- and valley- polarized graphene multilayers, we investigate pairing within a ferromagnetic phase of a single-valley model of itinerant two-dimensional (2D) electrons with Hubbard-type interaction and no artificial high-energy cutoff. In 2D, the Stoner transition is first-order into a fully-polarized state wherein the only gapless collective excitations are transverse magnons. We find that in a spin-SU(2) symmetric model, this magnon-mediated pairing interaction between equal-spin fermions vanishes at $T=0$. We show that a small easy-plane magnetic anisotropy $\Omega_0 \ll E_F$, where $E_F$ is the Fermi energy, breaks the SU(2) symmetry and generates an attractive interaction for equal-spin $p-$wave pairing. We explicitly derive the corresponding coupling constant $\lambda_p$ as the scaling function of both the relative strength of the easy-plane anisotropy, $\Omega_0/E_F$, and the proximity to the ferromagnetic transition. While $\lambda_p$ is parametrically small in $\Omega_0/E_F$ deep inside the ferromagnetic phase, it becomes enhanced near the ferromagnetic transition, reaching order unity regardless of how small $\Omega_0/E_F$ is. This mechanism yields a sizable $T_c$, peaked near the onset of ferromagnetism.
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All authors Vladimir Calvera, Heqiu Li, Yijie Wang, B. Andrei Bernevig, Andrey V. Chubukov

Strongly Correlated Electrons

Three-point density correlations in a weakly interacting 2D Fermi liquid

We study the three-point equal-time correlations of the density in a weakly interacting spin 1/2 Fermi gas and present two new results. First, we compute the three-point correlation for the total density $\rho = \rho_\uparrow + \rho_\downarrow$ exactly as a function of momentum to first order in a dimensionless interaction parameter ${\cal I}$. This generalizes a previous result that related the three-point function to the Landau Fermi liquid parameters $F_0^s$ and $F_0^a$ and applied in a certain long-wavelength collinear limit. Second, we compute the leading order ${\cal O}({\cal I}^3)$ interaction correction to the same-spin three-point correlation function in the long-wavelength collinear limit. These results are directly relevant to current experiments on atomic Fermi gases using quantum gas microscopy.
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Mesoscale and Nanoscale Physics

Equivalence between the Axion Invariant and the $S_4$ Symmetry Indicator

The equivalence between the axion invariant and the $S_4$ symmetry indicator is established for three-dimensional $S_4$-symmetric axion insulators with vanishing three-dimensional Chern numbers. Starting from the Chern-Simons expression for the magnetoelectric polarizability, $2P_3=\theta/\pi$ is rewritten in terms of the $S_4$ sewing matrix. After stable reduction to determinant-one two-band blocks, the invariant is expressed as the degree of a map from the Brillouin zone to $SU(2)$. The degree modulo two is then evaluated from the $S_4$ eigenvalues at the four $S_4$-invariant momenta and is shown to coincide with the symmetry indicator $z_2$. A minimal tight-binding model with $S_4$ symmetry verifies the correspondence between $2P_3$ and $z_2$ throughout its phase diagram. The result closes a gap between the topological-field-theory description of the axion response and the topological-band-theory classification by symmetry indicators. It also extends the known response-indicator equivalence from antiunitary settings such as $C_nT$ symmetry to the unitary, orientation-reversing roto-inversion symmetry $S_4$.
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Monday 6 July

Materials Science

SlaKoNet-VQD: A universal Slater-Koster tight-binding Hamiltonian for variational quantum band-structure calculations on near-term hardware

Variational quantum algorithms such as VQE and VQD are promising for near-term electronic structure calculations, but for periodic solids their reach is limited by the cost of building a faithful second-quantized Hamiltonian, typically via DFT plus Wannierization or hand-fit tight-binding parameters. SlaKoNet addresses this by combining deep learning with the Slater-Koster tight-binding formalism to fit hopping and overlap parameters across 65 elements, enabling deterministic Hamiltonian construction for any crystal built from these elements. Here we couple a SlaKoNet model trained on JARVIS-TBmBJ with a Qiskit-based VQD algorithm, replacing costly Hamiltonian construction with a universal neural Hamiltonian generator. The resulting SlaKoNet-VQD workflow is structure-agnostic, differentiable, and suited to high-throughput bandstructure screening. We benchmark on silicon, recovering the full eight-band structure along the standard k-path with mean absolute deviation of 1.78 meV from exact diagonalization on a 3-qubit simulator, and extend to five conventional superconductors (Al, Ta, Nb, V, ZrN) with similar accuracy. We demonstrate execution on IBM Quantum hardware for a k-point ground-state calculation on aluminum (MAE ~0.37 eV). We further promote the Hamiltonian to a correlated Hubbard model solved via dynamical mean-field theory, recovering weakening correlations across group-5 metals and strong quasiparticle renormalization in La2CuO4, identifying the impurity problem as a natural quantum solver target. This pipeline enables high-throughput VQA benchmarking across the periodic table and gradient-based ansatz-Hamiltonian co-optimization for materials discovery. Web app: https://atomgpt.org/quantum.
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All authors Akshaya Ajith, Jaehyung Lee, Charles Rhys Campbell, Kamal Choudhary

Materials Science

Ultrahigh-Entropy Compositionally Complex Ceramics: Fluorite-Pyrochlore Phase Stability and Order-Disorder Transitions

Three groups of 32 ultrahigh-entropy compositionally complex ceramics (CCCs) containing 16-19 components were synthesized and characterized. The first group of 15 CCCs forms single ultrahigh-entropy fluorite or pyrochlore phases in 12 compositions, while two compositions exhibit fluorite-fluorite dual phases, observed for the first time. Compared with ternary A2B2O7 pyrochlore, these ultrahigh-entropy CCCs are more prone to ordering (pyrochlore formation), surprisingly even more at higher size disorder (more lattice distortion), with suppressed dual-phase formation relative to five-component high-entropy ceramics. Two new 19-component series, denoted as "19CCC-P|Fy" and "19CCC-P|Fz", form single ultrahigh-entropy fluorite or pyrochlore phases. The 19CCC-P|Fy series, maintaining a 2:2 ratio of 3+ and 4+ cations, exhibits a pyrochlore-to-fluorite order-disorder transition (ODT) at y ~ 0.84, consistent with the linear projection of the pyrochlore superstructure peak intensity as an order parameter. In contrast, the 19CCC-P|Fz series with non-2:2 ratios of 3+ and 4+ cations show an abrupt ODT at z ~ 0.41-0.44, despite a projected transition at z ~ 0.64 from the order parameter.
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Statistical Mechanics

Modern view of activated rate processes: unidirectional fluxes at equilibrium, correlation functions, and splitting probabilities

More than 80 years ago Kramers published a paper calculating how fast a Brownian particle escapes from a potential well over an activation barrier. Since then Kramers' model has been widely adopted by nuclear physics, biophysics and chemical physics communities as a description of activated barrier crossing. From a chemical kinetics perspective, Kramers' theory provides a mapping from continuous dynamics to discrete-state chemical kinetics. Motivated by recent developments, this Perspective provides a rigorous way of performing such a mapping, explaining why and how Kramers' theory works from several points of view. Specifically, we consider transitions of a Brownian particle between two potential wells corresponding to the “reactant” and the “product” of a chemical reaction. A central unifying idea is to divide the equilibrium ensemble of possible states of the system into two sub-ensembles corresponding to the reactant and product states and then to consider fluxes between these sub-ensembles. Importantly, naive separation based on the location measured relative to the barrier top does not result in a mapping that is physically tenable, and instead the past of the trajectory should be considered. Thus constructed reactant and product ensembles provide an internally consistent description of the problem when also viewed from two different perspectives: one based on the definition of the rate as a conditional transition probability per unit time and the other based on the relaxation modes of the time-evolution operator governing the dynamics.
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Statistical Mechanics

Complete local expansion of the availability function in random sequential adsorption of aligned squares at low density: Termination at fourth order

We consider random sequential adsorption (RSA) of aligned squares and derive the low-coverage expansion of the availability function alpha(q), the fraction of positions accessible to an additional square, up to fourth order in the coverage q. At low coverage, the reduction of available space can be understood in terms of geometric overlap between exclusion regions created by previously deposited squares. A single square blocks a finite area; pairs of squares may have overlapping exclusion zones, reducing the total blocked area; similarly, three and four squares can share a common overlap region, leading to higher-order corrections. These contributions can be systematically accounted for through an inclusion-exclusion expansion based on the geometry of overlapping exclusion regions, with alternating signs dictated by inclusion-exclusion. The expansion terminates exactly at fourth order, since no more than four deposited squares can simultaneously overlap the exclusion region of a trial insertion. The coefficients are obtained by explicit enumeration of all such geometrically admissible configurations and are further confirmed by numerical simulations on a discrete lattice, showing agreement within statistical uncertainty.
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Materials Science

Electric Field Induced Multi-Space Topological Phase Transitions in Janus Monolayer MnBi2Se2Te2

Manipulating coexisting multi-space topological states within a single material is a critical frontier for low-power spintronic applications, for which perpendicular electric-field gating offers a highly precise tuning mechanism. Using first-principles calculations and atomistic spin simulations, it is demonstrated that Janus monolayer MnBi2Se2Te2 can exhibit simultaneous momentum-space and real-space topological phase transitions under an external electric field. Specifically, the electric field drives momentum-space transitions across a topologically trivial state (C = 0), a low-Chern-number quantum anomalous Hall state (C = -1), and a high-Chern-number state (C = 2). Concurrently, by actively tuning the competition between the Dzyaloshinskii-Moriya interaction and magnetic anisotropy, the electric field induces real-space magnetic transitions from a uniform ferromagnetic state to an isolated skyrmion state, and ultimately to a skyrmion-spiral domain coexistence phase. Electric-field-induced variations in both the QAHE and magnetic textures may give rise to multiple topological phase transitions, involving distinct topological regimes: a purely k-space topology, RK-joint skyrmions, and pure real-space skyrmions. These findings establish a powerful material platform and efficient route for the synergistic control of coexisting topological orders, making it highly promising for next generation multi-functional spintronic devices.
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Materials Science

Domain-Growth Kinetics and Scaling Laws Governing Pulse-Driven Accumulative Polarization Switching in HZO

Accumulative polarization switching driven by sequential sub-coercive electric-field pulses offers a promising route toward low-power ferroelectric memories and neuromorphic devices. However, the kinetic regimes governing this nonequilibrium process remain poorly understood. Here, we employ a phase-field model based on the time-dependent Landau-Ginzburg formalism to investigate pulse-driven accumulative switching in ferroelectric HZO. By systematically varying the initial domain configuration, pulse amplitude, pulse-on time, and pulse-off time, we establish a quantitative link between microscopic domain-wall dynamics and macroscopic polarization accumulation. We show that the effective switched-domain radius follows distinct scaling regimes characterized by the local kinetic exponent. Initially, a local exponent greater than 1 indicates superlinear domain growth driven by enhanced irreversible domain-wall propagation under successive pulses. As switching progresses, a local exponent close to unity marks steady self-similar growth, whereas a local exponent less than 1 signifies decelerating dynamics caused by geometric confinement, depletion of switchable polarization, and relaxation-induced back switching. The transition between these regimes is governed by the competition between field-driven excitation during the pulse-on interval and spontaneous relaxation during the pulse-off interval. The initial domain geometry further influences this transition. Increasing the pulse amplitude or pulse-on duration extends the superlinear regime, whereas longer pulse-off times promote relaxation and suppress accumulation. These findings establish a unified scaling framework for pulse-driven accumulative switching, providing quantitative insight into nonequilibrium ferroelectric domain evolution and design guidelines for HZO-based memory and neuromorphic devices.
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Materials Science

Raman spectroscopy of the van der Waals altermagnet Co$_{1/4}$NbSe$_2$

We investigate the influence of Co intercalation and altermagnetic order on the lattice dynamics of the layered compound Co$_{1/4}$NbSe$_2$. Polarization-resolved Raman spectroscopy, supported by density-functional theory, enables identification of six Raman-active phonons. Co intercalation drives a substantial reconstruction of the vibrational spectrum through zone folding of NbSe$_2$ phonons, producing hybridized modes with mixed zone-center and zone-boundary character. Despite this, Co atoms do not participate in any Raman-active modes by symmetry, which is in marked contrast to related $1/3$ compounds where intercalant modes do contribute to the Raman spectrum. Temperature-dependent Raman measurements across the altermagnetic transition show no discontinuities, which is consistent with magnetic fluctuations persisting above the Néel temperature. However, we find evidence for spin-phonon coupling in $A_{1g}$ symmetry modes owing to their out-of-plane Se displacements. Our work demonstrates the substantial impact of intercalation on the vibrational properties of transition metal dichalcogenides and the presence of spin-phonon interactions in a newly discovered altermagnetic material.
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All authors Dushyanthini Balasundaram, Bishal Thapa, Resham Babu Regmi, Nirmal J. Ghimire, Igor I. Mazin, Patrick M. Vora

Disordered Systems and Neural Networks · Cross-listed from quant-ph

Entanglement Entropy of Free Fermions on Random Fractal Lattices

Random fractal lattices provide a geometrically disordered setting in which quantum correlations can be shaped by noninteger dimensionality rather than onsite randomness. We investigate the entanglement properties of noninteracting fermions on random fractal lattices generated by a stochastic growth algorithm. By varying the growth parameter and adding missing links with probability $p$, we tune the Hausdorff and spectral dimensions while keeping the system free of onsite disorder. For ground states at different fillings, we compute the bipartite entanglement entropy of subregions defined by graph distance and analyze its scaling with subsystem size. Over a broad parameter range, we find robust power-law behavior governed primarily by the Hausdorff dimension, consistent with a generalized area law and without the logarithmic enhancement familiar from Euclidean free fermions. We also study entanglement growth following a global quench from an uncorrelated checkerboard state and uncover an asymptotic scaling collapse in which the subsystem-size dependence is governed by the Hausdorff dimension, while the temporal evolution is governed by the spectral dimension. The resulting dynamics are logarithmically slow over an extended intermediate-time window. These results show that geometric randomness alone can generate both nontrivial ground-state entanglement structure and slow quantum-information spreading in free-fermion systems.
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Superconductivity · Cross-listed from quant-ph

Nonlocal transfer of quantized toroidal magnetic flux

We propose a nonlocal flux-transfer experiment in which a quantized magnetic-field excitation confined within one toroidal superconducting structure is coherently transferred to a spatially separated toroid without magnetic-field occupation of the intervening region. The transfer arises from quantized Aharonov-Bohm-type vector potential coupling mediated by a superconducting loop threading the toroids, which, however, remains in the ground state, acting only through a global fluxoid constraint. A direct experimental signature would be the observation of correlated, time-resolved flux exchange between remote toroids in a SQUID readout. We analyze an apparent signaling paradox related to this interaction as a probe of the broader question of whether spatiotemporal quantum coherence is fundamentally bounded. The proposed setup can provide an experimental testbed for addressing foundational questions such as the existence of an objective collapse of a wavefunction or the fundamental limits of macroscopic quantum coherence which is relevant to large scale quantum computers.
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