PDF Summaries - Catalysis, 2D metals

Nature Materials, Published online: 03 March 2026; doi:10.1038/s41563-026-02515-8

Faraday microscopy and magnetic force microscopy with circularly polarized picosecond optical pulses are used to investigate domain switching in a ferromagnetic Pt/Co/Pt thin film. A stochastic model explains the nucleation and growth of magnetic domains, taking into account light helicity and the relative magnetization of neighbouring domains.

Cu-based bimetallic catalysts have been shown to improve the multi-carbon (C2+) selectivity in CO2 electroreduction, with the assumption that CO spillover from the CO-selective catalysts to adjacent Cu domains via their bimetallic interface promotes C-C coupling. Here, through systematically controlling the Cu-Ag interface densities of bimetallic catalysts, we report that CO spillover via the bimetallic interface is unlikely to enhance the formation of C2+ products. Conversely, the abundant Cu-Ag interface preferentially promotes CH4 formation while suppressing C─C bond formation. CO stripping studies also reveal that the Cu-Ag interface does not favor C─C coupling. Further computational modelling suggests that Cu-Ag bimetallic interface significantly enhances the energy barrier of CO dimerization while lowering the energy barrier for *CO hydrogenation toward CH4, thus inhibiting C─C coupling toward C2+ products while facilitating CH4 formation.

Among viable approaches to address the current energy crisis, photocatalytic water splitting to produce hydrogen (H2) stands out as a promising strategy for converting solar energy into storable chemical energy. In this study, FeCoNiCuPt high-entropy alloy particles (HEA) are loaded onto protonated g-C3N4 nanosheets (HCN NSs) to construct HEA/HCN composites through an electrostatic self-assembly method. Protonation treatment enriches the surface of g-C3N4 nanosheets with abundant active sites and enhances their interfacial charge separation capability. The optimal HEA/HCN composite exhibits a remarkable hydrogen evolution rate of 1672 µmol·h-1·g-1, representing a 98.35-fold enhancement compared to pristine HCN. The apparent quantum efficiency of HEA/HCN composite reaches 3.23% at λ = 370 nm. Experimental characterizations reveal that the 2D ultrathin protonated g-C3N4 nanosheets possess a substantial specific surface area and shortened charge transfer distance, facilitating rapid migration of photoexcited electrons. The incorporation of HEA cocatalysts not only introduces additional active sites but also establishes Schottky junctions at the HEA/HCN interface. The synergistic effect effectively accelerates electron transport and suppresses the recombination of photogenerated carriers, thereby significantly enhancing the photocatalytic H2 production performance. This work provides new insights into the future application of high-entropy alloys as novel cocatalysts in photocatalysis.

Author(s): Xiaodong Shen, Jiajun Cao, Borong Cong, Bingsuo Zou, Weizheng Liang, Zanxiong Peng, Jialong Zhao, and Alexey Kavokin

The two-dimensional (2D) magnetic semiconductor CrSBr shows great potential for spintronic and optoelectronic device applications due to its intrinsic ferromagnetism and a large magnetic anisotropy. In this study, the phononassociated excitonic dynamics in CrSBr is studied using ultrafast reflectanc…

[Phys. Rev. B 113, 125406] Published Tue Mar 03, 2026

The efficacy of in situ cancer vaccination has been hampered by poor spatiotemporal orchestration of multiple key steps of cancer-immunity cycle in most tumours and systemic toxicity related to therapeutic strategies. Here, we report a systemic injectable and pyroptosis-enabled nanoadjuvant (SPEN) that precisely evokes the secretion of vaccine-like pyroptosome in tumour area for eliciting robust anti-tumour immunity. SPEN induces vigorous immunogenic pyroptosis, triggering the efficient release of tumour antigen-rich pyroptosomes, DAMPs, and proinflammatory cytokines. Upon the activatable release of a TLR7/8 agonist into pyroptosome, the generated pyroptosome functions as in situ cancer vaccine for cooperatively activating the cancer-immunity cycle while avoiding systemic toxicity. This in situ vaccine boosts both innate and adaptive immune response, facilitating the eradication of primary tumour and long-lasting cancer prevention. Our findings provide new insights into the rational design of pyroptosis-inducing nanomedicines for boosting the cancer-immunity cycle, thus advancing personalized cancer immunotherapy.

Nature Chemistry, Published online: 03 March 2026; doi:10.1038/s41557-026-02064-2

Arsenic’s dual nature—both beneficial and toxic—has long challenged its practical use in chemistry. Now it has been shown that photoredox catalysis can directly convert arsenic sulfide minerals into diverse organoarsenicals, bypassing hazardous intermediates and offering a safe, sustainable and scalable route to functionalized arsenicals.

Author(s): Xumin Chang, Zui Tao, Bowen Shen, Wanghao Tian, Jenny Hu, Kateryna Pistunova, Kenji Watanabe, Takashi Taniguchi, Tony F. Heinz, Tingxin Li, Kin Fai Mak, Jie Shan, and Shengwei Jiang

Consecutive topological phase transitions (TPTs) between strongly correlated electronic phases that differ simultaneously in symmetry breaking and topological order are of fundamental interest in condensed matter physics, yet, rarely realized experimentally. We report two consecutive electric-field–…

[Phys. Rev. Lett. 136, 096503] Published Tue Mar 03, 2026

Intermetallic compounds such as A 2 B 7 alloys are promising candidates for mobile hydrogen storage applications due to their high and reversible hydrogen absorption capacity. We compute the absorption isotherm of Nd 3 MgNi 14 from first principles using a multiscale modeling approach. Absorption sites are identified through a systematic geometrical analysis, and are characterized with density functional theory (DFT) calculations. The absorption site properties are used in room-temperature grand canonical Monte Carlo simulations to predict hydrogen uptake as a function of pressure, leading to a full absorption isotherm in good agreement with experimental data. We show that both hybrid exchange-correlation functionals and zero-point energy corrections are necessary to obtain accurate absorption properties. The analysis of the fully hydrogenated structure with DFT shows considerable volume expansion, which stabilizes the structure at large hydrogen content.

Nature, Published online: 03 March 2026; doi:10.1038/d41586-026-00595-9

Mainstream chatbots presented varying levels of resistance to deliberate requests for fabrication, study finds.

Fast lithium transport across the solid-state electrolyte (SSE)/lithium metal anode interface is critical for high-performance all-solid-state batteries. Uncovering the complex lithium dynamics governed by diverse local environments in the solid electrolyte interphase (SEI) is fundamental for performance optimization. However, a general framework for characterizing these distinct local environments and the associated transport mechanisms remains lacking. Here, we develop GET-SEI, a general framework that discovers local atomic environments without predefined labels through Graph contrastive learning (GCL), models lithium transition kinetics via Extended dynamic mode decomposition (EDMD), and quantifies reactive lithium flux through Transition path theory (TPT). Applied to different SSE/Li systems, including sulfides (Li6PS5Cl/Li, Li10GeP2S12/Li) and oxides (Li7La3Zr2O12/Li), the GET-SEI reveals dominant transport pathways and kinetic bottlenecks in each system, providing quantitative metrics for evaluating lithium transport efficiency. As novel high-performance SSEs continue to emerge, GET-SEI offers a widely applicable, interpretable tool for targeted SEI engineering.

Reliable simultaneous optical sensing of pressure and temperature under extreme and dynamically fluctuating conditions remains a major challenge due to intrinsic cross-sensitivity between these two thermodynamic parameters. Multimodal systems enabling simultaneous yet fully decoupled monitoring of both parameters are therefore highly sought after. Here, we demonstrate that the synergistic interplay between Cr3+ and Ni2+ luminescence provides a platform for bifunctional temperature-pressure sensing with independent readout channels. Two complementary detection strategies were systematically investigated: ratiometric approach based on luminescence intensity ratio and kinetic approaches exploiting emission decay dynamics. Among the kinetic strategies, a time-gated dual-ion lifetime concept - introduced here for the first time for luminescence manometry - enables pressure readout with record-high relative sensitivity reaching 148.33% GPa-1 while exhibiting complete immunity to temperature fluctuations. Conversely, temperature sensing is achieved via time-gated single-ion Ni2+ luminescence, ensuring high thermometric performance with negligible pressure-induced interference. Importantly, this work study, for the first time, the potential of Ni2+ ions for application in near-infrared luminescence manometry. The unique combination of ultrahigh sensitivity, multimodal readout capability, and possibility of near-infrared operation positions the Ni2+-Cr3+ luminescence synergy as a benchmark platform for next-generation bifunctional optical sensors, enabling reliable operation in complex, dynamically evolving, and optically demanding environments.

Small, Volume 22, Issue 13, 3 March 2026.

Trilayered Bi-2223 superconductor features the highest critical temperature $T_c$ among the bismuth-based cuprate collection and symbolizes an ideal prototype for studying intrinsic superconducting properties. The previous solid-state reaction method substantiated the growth of the high-quality Bi-2223 compounds but was accompanied by excessively laborious time and effort in terms of multiple grinding, pressing, as well as calcining stages, %causing risk of constituent loss, so finding a less tedious synthesis path is imperative. Here, we present an advanced sol-gel synthesis for assembling the multicomponent complexity of Bi1.4Pb0.6Sr2Ca2(Cu1-xLix)3O10 superconductors (Li-doped Bi-2223), with $x$ = 0.0--0.20, utilizing metallic cationic molecular mixing within the chemical Pechini polyesterization route followed by single-step pyrolysis and sintering stages. Although monovalent cations such as Li$^+$ pose limitations in establishing a perplex crosslinking network or chelating mechanism in the Pechini method, they represent a unique probe to elucidate the major chemical process during polymerization. We observe that a 5 molar~\% Li-doped sample pronounces the highest $T_c$ = 111.4 K among the series of samples, as confirmed by both ac susceptibility and dc resistivity measurements, and is equivalent to the value obtained by our preceding solid state fabrication. In addition, we showcase a rare observation of layer-by-layer crystalline phase growth under microstructure probe. Through analyzing the reliable ac susceptibility data at low magnetic fields in a wide range of frequency, we provide the quantum flux formation and flux creep mechanism by Anderson-M\"uller's model and Cole-Cole plot.

Magnetic topology is central to modern quantum magnet, where spin chirality governs exotic spin winding, real-space Berry phase, and topological Hall effect. A key unresolved challenge is how to electrically switch topological spin chirality and its associated gauge flux, an essential requirement for manipulating its topological quantum properties. In this work, we propose and experimentally demonstrate the concept of current-switching spin chirality. We identify the new vdW antiferromagnet Co1/3TaS2 as an ideal platform, hosting a topological 3Q state with a minimum chirality cell, an ultrahigh skyrmion density, a non-centrosymmetric geometry, and a strong Berry curvature. We discover intrinsic self-torque-induced chirality switching within Co1/3TaS2, driven purely by current, without the need of heavy metals or a magnetic field, and with high energy efficiency. Our results establish a promising framework for electrically generating and controlling topological spin chirality, and demonstrate a practical route toward chiral spintronics. They can be naturally generalised to other skyrmion systems, offering new opportunities in symmetry control, topological manipulation, and spin-chirality-based quantum functionalities.

Nature Communications, Published online: 03 March 2026; doi:10.1038/s41467-026-70201-z

Conventional methods for constructing 2,5-dihydropyrroles often rely on elaborate multi-step procedures or complex starting materials. Herein, the authors describe a palladium-catalyzed chemodivergent protocol for synthesizing functionalized 2,5-dihydropyrrole scaffolds from readily accessible 1,3-enynes and anilines.

Small, EarlyView.

Ultrafast carrier and phonon dynamics at the lattice-matched interface of GaP/Si(001) are investigated upon below-bandgap excitation of the GaP layer at different growth stages. Transient reflectivity (TR) signals exhibit an abrupt change upon photoexcitation, revealing ultrafast creation of carriers at the heterointerface and/or in the GaP layer. Temporal evolution and resonance behavior of the interfacial carrier dynamics reveals the dominance of a discrete electronic state for thin low-temperature nucleation layers and its extinction for thicker high-temperature overgrown layers. In addition, a coherent 2-THz oscillation, which was reported previously for the low-temperature nucleation layer, is observed also for the high-temperature overgrown layers. The resonance behavior of the oscillation amplitude is similar to that of the interface carrier dynamics of the respective layers, supporting its assignment as a phonon mode localized at the heterointerface and coupled strongly with the interface carriers. On the other hand, the phonon amplitude exhibits a non-monotonic dependence on the GaP layer thickness, and its optical polarization-dependence is transformed qualitatively by the high-temperature overgrowth, both of which can be explained only qualitatively by the coupling with the interface carrier dynamics. Our observations imply that the 2-THz phonon mode itself is robust against the high-temperature overgrowth, but its amplitude is dominated by the coupling with the interface electronic transition as well as by the atomic reorganization at the interface by the overgrowth.

By means of first-principles electronic structure calculations, we hereby investigate the structural transitions induced by epitaxial strain in (111)-oriented (LaMnO$_3$)$_{2n}|$(SrMnO$_3$)$_n$ superlattices, with $n=2,4,6$. All superlattices in the explored range of strain are shown to prefer a half-metallic ferromagnetic order where the local magnetic moments are coupled to volume-breathing distortions. More in detail, our results reveal that thickness plays a crucial role in the response to epitaxial strain, which is particularly evident in the resulting tilt pattern of the oxygen octahedra. The thinnest superlattice, for $n=2$, always adopts the $a^-a^-a^-$ tilt pattern and the competing $a^-a^-c^+$ tilt pattern can be stabilized as a metastable state only in presence of compressive strain. Instead, the superlattice with $n=4$ favours the $a^-a^-c^+$ tilt pattern at equilibrium conditions, but the in-phase rotations around the third pseudocubic axis are so fragile that the $a^-a^-a^-$ pattern is recovered under a tiny amount of either compressive or tensile strain. The superlattice with $n=6$ exhibits a more nuanced behaviour: compressive strain drives a transition from $a^-a^-c^+$ to $a^-a^-a^-$, whereas tensile strain preserves the $a^-a^-c^+$ tilt pattern and significantly accentuates the structural differences between the two inequivalent sublattices within this symmetry. In fact, the Jahn-Teller distortions are quenched in one of the sublattices, leading to enhanced volume-breathing distortions and corresponding enhanced charge and spin oscillations. This suggests that Hund's physics may be more relevant in this regime of tensile strain, maximizing the interplay between strong electronic correlations and structural effects.

Nature Catalysis, Published online: 03 March 2026; doi:10.1038/s41929-026-01489-9

Structural insights into the assembly of the complex nitrogenase cofactor are scarce. Now, cryo-EM and AlphaFold analyses of NifEN, which converts the precursor (L-cluster) to a mature cofactor (M-cluster), are reported, uncovering a dynamic tunnel for L-cluster trafficking between assembly partners.

Author(s): Hui Zeng, Weijie Zhang, Jun Zhao, and Dazhi Ding

The altermagnet (AM), characterized by zero net magnetization combined with momentum-dependent spin polarization, is regarded as a new type of collinear magnet and has attracted increasing interest since the fundamental concept of altermagnetism was established. Although many AM candidates have been…

[Phys. Rev. B 113, 104405] Published Tue Mar 03, 2026

Alloying offers an effective way to improve the functionality of transition metal dichalcogenides (TMDCs) in both fundamental research and optoelectronic applications, as it allows for engineering their electronic and optical properties. This study investigates the optoelectronic properties of CVD-synthesized alloy MoSSe, which exhibits an inherent out-of-plane dipole moment, arising from asymmetry in S and Se atoms on either side of the Mo layer, as confirmed by piezoelectric force microscopy, polarization-resolved second harmonic generation studies and theoretical first-principles calculations. Time-resolved photoluminescence measurements reveal an extended exciton radiative recombination lifetime in MoSSe, attributed to electron-hole wavefunction separation by the dipole moment, which improves photodetection by facilitating enhanced electron-hole separation before recombination. The device demonstrates significant responsivity over broad spectral range. By employing the photogating effect, the device response can be switched from slow to fast modes. These findings are further supported by illumination intensity-dependent photoluminescence and Raman measurements, underscoring the potential of polar TMDCs in future optoelectronic devices.

Machine learning interatomic potentials (MLIPs) evaluate potential energy surfaces orders of magnitude faster while maintaining accuracy comparable to first-principles calculations, and universal MLIPs that cover most of the periodic table are becoming increasingly commonplace. However, existing large-scale datasets have limited or no coverage of heavy elements such as minor actinides crucial in the nuclear field, and universal MLIPs are typically limited to 89 elements. Here, we constructed a heavy element dataset HE26 containing minor actinides, based on experimental and computational literature data. By integrating this with existing molecular and crystal datasets, we developed an open-source universal MLIP covering 97 elements, the broadest elemental coverage to date. The resulting model showed strong performance on the inorganic MPtrj and organic OFF23 test sets and promising accuracy on HE26. The dataset and model open a pathway toward the development of energy resources and the design of novel materials, such as actinide-based high-entropy ceramics, in the nuclear field.

The multiscale picture of hydrogen embrittlement (HE) mechanisms has been under controversy for a long time. Here I report a thermomechanically-consistent HERB framework driven by the Rice-Beltz concept meanwhile incorporating the hydrogen transport near the crack-tip and void growth within the plastic zone. Triggered solely by dislocation emission from the crack tip, the HERB theory unifies multiple HE mechanisms, such as HEDE, HELP, NVC and HESIV within a single framework. Specifically, a generalized model for predicting the hydrogen-informed dislocation emission is established by incorporating the Rice-Beltz model with the transition state theory. Accounting for the dynamic variation of the trapping energy of spherical inclusions, hydrogen transport is modeled in the dislocation free zone in front of the crack tip. Semi-analytical expressions of the density of geometrically necessary dislocations are obtained by incorporating the Hutchinson-Rice-Rosengren solution with the conventional theory of mechanism-based strain gradient plasticity model. By exploring the feasibility of stochastic analysis, the present theory demonstrates that the hydrogen-informed void dynamics is dominated by the dislocation density between the limits of Lifshitz-Allen-Cahn and Lifshitz-Slyozov-Wagner laws, even though individual events remain unpredictable. These insights fundamentally reshape hydrogen/dislocation interactions across multiple scales, including the core width, short-range and long-range levels.

Non-magnetic p-n junctions have been fundamental components in the silicon era, serving as the backbone for nearly all Si-based semiconductor devices, including transistors. To tackle challenges such as scaling limitations, excessive latency, and high-power consumption in Si-based electronics, we develop magnetic p-n junctions composed of a p-type amorphous magnetic semiconductor (p-AMS) and n-type Si. These charge-and-spin junctions exhibit typical diode characteristics for charge current, along with distinctive spin diode features. By manipulating spin-polarized space charges, we observed a giant magnetic enhancement of approximately 24.36% at a breakdown current of 5 mA, and an impressive 29-fold increase in magnetic moments for p-AMS. The observed spin behavior is attributed to space charge effects or carrier depletion in the p-AMS with extended hole states.

Epitaxial bismuthene on SiC(0001) hosts symmetry-protected metallic edge states within a large bulk band gap, establishing it as a promising two-dimensional topological insulator for hightemperature quantum spin Hall (QSH) transport. Here we realize bismuthene islands by intercalating Bi beneath zero-layer graphene on SiC(0001) followed by hydrogen treatment, yielding well-defined edges with controlled terminations. Spectroscopic measurements demonstrate that the edge states reside inside the bulk band gap and remain charge neutral. The graphene overlayer interacts only weakly with the bismuthene, preserving its topological character while providing environmental protection. Notably, the one-dimensional edge channels exhibit signatures of enhanced electronic correlations relative to freestanding bismuthene, suggesting proximity-induced modification of the QSH edge physics. These results establish graphene-capped bismuthene as a robust and tunable platform for correlated quantum spin Hall states.

We propose to combine Bose-Einstein condensation in higher Bloch bands and a driven-dissipative cavity-BEC system into a hybrid light-matter platform. Specifically, the condensate is trapped in a bipartite $s$-$p_x$-$p_y$-lattice, with a tunable energy offset. This enables a controlled population transfer from the $s$-orbital to the nearly degenerate $p_x$ and $p_y$ orbitals. The system forms a chiral ground state with $p_x \pm i p_y$ symmetry, with staggered orbital currents. By increasing the transverse pump strength, we drive the system into the superradiant phase, resulting in a self-organized, density checkerboard, which rectifies the staggered chiral order into a topological superfluid state. Using truncated Wigner simulations and complementary mean-field analysis, we determine the phase transition into this state as first order. Our results show that higher-band condensates coupled to a cavity provide a promising platform for engineering non-trivial orbital order and topological superfluid phases in quantum optical many-body systems.

Nature Communications, Published online: 04 March 2026; doi:10.1038/s41467-026-70151-6

The reprocessability of covalent adaptable networks often comes at the expense of mechanical performance and thermomechanical stability. Herein, the authors introduce a dynamic N-hydroxyphthalimide-urethane bond to achieve thermomechanical stability and reprocessability in covalent adaptable networks.

Side surfaces of cuprate superconductors are expected to display a suppressed $d$-wave order parameter and zero-energy topological flat bands with a large density of states, making them susceptible to symmetry broken orders. Yet such surfaces have never been investigated with momentum-resolved, surface-sensitive probes, because high-temperature superconductors rarely cleave along them. Using focused-ion-beam milling to define a controlled breaking point, we expose pristine (110) side surfaces of overdoped La$_{2-x}$Sr$_x$CuO$_4$ ($x=0.22$) suitable for angle-resolved photoemission. We observe the suppression of the superconducting spectral gap within our energy resolution ($\sim 4~\mathrm{meV}$), and surprisingly, the expected zero-energy flat band peak is also suppressed, despite the high topographic quality of the surface. Self-consistent Bogoliubov--de~Gennes calculations show that the measured geometric roughness of the cleaved surface is too weak to eliminate these modes. The calculations further demonstrate that bulk inhomogeneities characteristic of high-temperature superconductors, modelled as moderate Anderson-type disorder, can broaden the flat-band states beyond detectability. Our results provide the first momentum-resolved view of the electronic structure on a cuprate side surface and reveal disorder as the key factor currently preventing appearance of flat bands and their associated correlated orders.

The charge, bonding, and optical properties of the calcium-doped boron cluster B$_7$Ca$_2$ have been systematically investigated using density functional theory calculations. Extensive global basin-hopping searches identify a single-ring B$_7$ geometry stabilized by two calcium atoms symmetrically located on opposite sides of the boron ring as the global minimum. Electronic structure analysis reveals pronounced charge redistribution and strong Ca--B interactions that promote electron delocalization over the boron framework. Hirshfeld charge analysis indicates substantial electron donation from the electropositive calcium atoms to the electron-deficient B$_7$ ring, leading to effective electronic stabilization without the involvement of transition-metal $d$ orbitals. Optical absorption spectra further reflect the delocalized nature of the frontier electronic states. Real-space bonding analyses based on the electron localization function (ELF), Interaction Region Indicator (IRI), and the Laplacian of the electron density reveal a multicenter bonding pattern dominated by electron delocalization within the boron ring, with calcium acting primarily as an electrostatic and charge-donating stabilizer rather than forming localized two-center Ca--B bonds. These results establish B$_7$Ca$_2$ as a prototypical example of an alkaline-earth-metal-stabilized boron ring and highlight the ability of non-transition metals to stabilize aromatic boron clusters through charge transfer and multicenter bonding.

Perovskite nanocrystals are a convenient model system for optical spin orientation and manipulation. However, its real potential might be underestimated due to the incomplete knowledge on spin relaxation times, which are obscured by the limited sensitivity of measurement techniques as well as by the insufficient understanding of the spin relaxation mechanisms in perovskites. In this work, we study the spin relaxation of charge carriers in perovskite nanocrystals both experimentally and theoretically. We address the electron and hole spins in CsPbI$_3$ nanocrystals embedded in a glass matrix by the resonant spin inertia technique based on optically detected magnetic resonance. It allows us to determine the longitudinal spin relaxation time $T_1$ separately for electrons and holes, the $g$ factors, and the effective Overhauser field of the nuclear spin bath. At a temperature of 1.6 K, the $T_1$ time for electrons can be as long as 0.9 ms. We reveal the effect of the time-varying nuclear field fluctuations, which enhances the electron spin relaxation at low magnetic fields, and measure a rather long nuclear spin correlation time of about 60 $\mu$s. We develop a model of the spin relaxation in nanocrystals based on a two-LO-phonon Raman process, which explains the observed temperature dependence of the time $T_1$.

The subject of the present paper is a thorough numerical investigation of plasmon expectations, their dispersions and damping within a Lieb lattice. The Lieb lattice is known for its unique low-energy band structure which consists of a bandgap as well as a flat band intersecting the conduction band at its lowest point. In contrast to previously studied dice lattice, the location of the current flat band exhibits reduced and broken symmetries, which give rise to interesting electronic and optical properties of this new material. In this work, we have investigated the conditions for observing a well-defined and stable plasmon mode within a wide frequency range. Specifically, we have considered a free-standing layer with various doping levels, as well as different types of monolayers of the Lieb lattice interacting with a surface-plasmon mode localized on top of a semi-infinite conductor. In particular, we have observed and described fully long-living plasmon modes with unusual energy dispersions. Additionally, we have carried out a detailed investigation on the static screening associated with the Lieb lattice. Our study has further revealed that these predicted features seem to be quite different from those of pseudospin-1 materials but resemble those of graphene instead.

Author(s): Takamasa Ando, Shinsei Ryu, and Masataka Watanabe

The authors develop here a systematic framework for constructing spontaneous symmetry-breaking (SSB) phases of strong symmetries, a concept specific to mixed quantum states. Starting from the ground-state phase diagram of lattice gauge theory models, the approach yields various mixed-state topological phases and explicit models for the critical points between them, including cases with gapless symmetry-protected topological order. They further clarify that lattice gauge theory ground states can be viewed as purifications of the corresponding mixed SSB states.

[Phys. Rev. B 113, 115106] Published Tue Mar 03, 2026

Visualizing the spatiotemporal evolution of the electric field of light is fundamental to optics, from designing photonic devices to developing next-generation microscopes. However, we lack the experimental tools to directly access the electric field of light in the sample plane of an optical microscope. Here, we introduce an all-optical imaging modality that resolves the electric field of light in the plane of a traditional widefield transmission optical microscope with 100-attosecond temporal and 200-nanometer spatial resolution. With this we demonstrate the delayed buildup of scattering contrast and pulse broadening through and around a thick MoTe2 flake - dynamics inaccessible via standard simulations. We showcase our technique's versatility by additionally resolving the full in-plane vector electric field lines during photoexcitation as the optical pulse propagates through and around the MoTe2 flake.

Collectives of actively-moving particles can spontaneously segregate into dilute and dense phases through a process known as motility-induced phase separation (MIPS). This captivating phenomenon is well-studied for randomly-moving particles with no directional bias. However, many active systems perform collective chemotaxis -- directed motion along a chemical gradient collectively generated by the particles themselves through consumption or production. Here, we use linear stability analysis, amplitude equations, and numerical simulations to study how MIPS is influenced by collective chemotaxis. We find that chemotaxis can either arrest or entirely suppress MIPS, or give rise to novel dynamic instabilities such as traveling waves and spirals. We predict the stability region of the stationary and oscillatory patterns and identify four types of bifurcation that can arise: pitchfork, saddle-node, infinite period, and supercritical Hopf. We also derive analytical expressions for the amplitude of the pattern and traveling wave velocity, yielding excellent quantitative agreement with simulations. Furthermore, we generalize our model to study particles that either consume or produce chemoattractant or chemorepellent, as well as mixtures of particles with different chemotactic behaviors. By establishing quantitative principles describing the competition between MIPS and chemotaxis, our study helps deepen understanding of the rich physics underlying chemically-responsive active matter systems.

In ordinary solids, nonlinear optical responses are typically studied in terms of unit-cell averages due to the angstr\"om-scale lattice constants. In contrast, moir\'e superlattices, characterized by a large length scale, unlock an often-overlooked degree of freedom: intra-supercell spatial variations of local observables. Here, we formulate the second-order direct current (DC) charge response in a spatially resolved manner, showing that even uniform optical illumination can drive a static, spatially non-uniform charge redistribution within a supercell. This effect is ubiquitous and cannot be forbidden by any crystalline symmetries. Furthermore, we identify a dominant contribution arising from diverging analytical response coefficients, which leads to linear-in-time growth of the redistribution in the absence of relaxation. This growth is driven by the convergence or divergence of local DC photocurrents. Applying our theory to twisted bilayer MoTe$_2$, we demonstrate strong, highly tunable charge modulation controlled by light intensity and frequency, opening a route to in situ, all-optical control of moir\'e-periodic electrostatic potentials. Our work underscores the importance of intra-cell degrees of freedom, which enable a qualitatively richer class of nonlinear optical responses in moir\'e superlattices.

Solidification, coupled with melt flow, plays a critical role in determining the microstructure and properties of materials in several manufacturing processes. Phase-field models coupled with the Navier-Stokes equations are widely used to model and simulate these dynamics. However, most existing models neglect essential thermodynamic couplings, particularly the capillary (Korteweg) stress in the momentum equation. This stress, which arises from the coupling between the phase field and the melt flow, accounts for thermal capillary effects during non-isothermal solidification. Neglecting it leads to models inconsistent with non-equilibrium thermodynamics and incapable of capturing capillarity-driven melt flow. In this work, we present a thermodynamically consistent, non-isothermal phase-field model for solidification coupled with melt flow, incorporating cross-coupling terms and explicitly including the Korteweg stress in the momentum equation. Model validation is performed for solidification-only cases, followed by simulations of dendritic growth under melt flow. The results show that thermal capillary effects induce flow near the interface, influencing dendrite tip velocity and morphology. Simulations under forced convection further demonstrate asymmetric dendrite growth due to the imposed flow field. Additionally, we numerically demonstrate the influence of viscosity interpolation schemes on enforcing the no-slip boundary condition in phase-field models with melt flow.

Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance - a confounding factor that obscures true chemical advances. Here, we present a generalizable, interpretable machine learning framework that decouples these effects via an asymptotic saturation model, enabling unbiased discovery of molecules with genuine intrinsic gains. Trained on a curated dataset of 240 experimental entries, our model identifies hydrogen bond acceptor strength and electrostatic potential difference as key descriptors. Guided by these insights, we screened 121 million PubChem compounds using a hierarchical strategy integrating diversity clustering and uncertainty quantification. Five dual-functional candidates (e.g., TDZ-S, TZC-F) are identified, exhibiting superior predicted efficacy (surpassing experimental benchmarks) and high confidence. First-principles calculations confirm strong chemisorption (Eads-1.7 eV), net electron donation, and optimized interfacial energetics. Crucially, our closed-loop "data-interpretation-screening-verification" pipeline establishes a transferable paradigm for rational materials design, extendable to other optoelectronic interfaces beyond perovskites.

We propose a general principle of constructing non-Hermitian (NH) operators for insulating and gapless topological phases in any dimension ($d$) that over an extended NH parameter regime feature real eigenvalues and zero-energy topological boundary modes, when in particular their Hermitian counterparts are also topological. However, the topological zero modes disappear when the NH operators simultaneously accommodate real and imaginary (in periodic systems) or display complex (in systems with open boundary conditions) eigenvalues. These systems are always devoid of NH skin effects, as has also been confirmed from the scaling of the inverse participation ratio, thereby extending the realm of the bulk-boundary correspondence to NH systems in terms of solely the left or right zero-energy boundary localized eigenmodes. We showcase these general and robust outcomes for NH topological insulators in $d=1,2$ and $3$, encompassing their higher-order incarnations, as well as for NH topological Dirac, Weyl, and nodal-loop semimetals. Possible realizations of proposed NH topological phases in designer materials, optical lattices, and classical metamaterials are highlighted.

Precise positioning of topological defects is essential for racetrack memories, where their positions along a magnetic nanotrack encode information. Traditional methods achieve nanometric precision by engineering pinning landscapes that enforce discrete steps in defect motion. However, accessing each bit requires overcoming a depinning threshold, which increases power consumption. Here, we demonstrate that spiral magnets provide a natural ruler, enabling precise positioning of bimerons (topological spin textures analogous to skyrmions) without relying on engineered pinning sites. A rotating magnetic field couples directly to the bimeron position, displacing it by exactly one spiral period per full rotation of the field. Such quantized transport of skyrmionic textures, reminiscent of Thouless pumping, is topologically protected and remains robust against perturbations, positioning spiral magnets as a natural skyrmion racetrack. The findings establish a paradigm for topologically protected transport of spin textures.

Author(s): Urban Mur, Miha Čančula, Hirokazu Kobayashi, Miha Ravnik, Slobodan Žumer, and Etienne Brasselet

We report a nondissipative optomechanical approach to separate the spin and orbital components of transverse energy flows of light beams. Focusing on uniformly polarized paraxial fields, the method relies on detecting the radiation-pressure-induced reorientation of the optical axis in anisotropic me…

[Phys. Rev. Research 8, 013235] Published Tue Mar 03, 2026

Author(s): Wei Luo, Asier Zabalo, Guodong Ren, Gwan-Yeong Jung, Massimiliano Stengel, Rohan Mishra, Jayakanth Ravichandran, and Laurent Bellaiche

Here, the authors use first-principles calculations to uncover strain-engineered gyrotropic effects in ferroelectric BaTiS${}_3$. They predict a tensile strain induced transition to a chiral $P{6}_3$ phase enabling electric field switchable optical rotation, and a compressive strain driven insulator-to-polar Weyl semimetal transition that activates a nonlinear anomalous Hall effect with sign reversal. These results establish strain as a powerful route to control optical and transport responses in a single material.

[Phys. Rev. B 113, L100101] Published Tue Mar 03, 2026

The quality, consistency, and information content of training data is often what determines the practical value of machine-learning models for atomistic simulations. Yet, many widely used electronic-structure databases are assembled having materials screening as primary goal rather than robust force-field learning, are limited in their scope to a specific class of chemical compounds, and/or employ inconsistent DFT functionals and settings. Here we introduce MAD-1.5, a highly curated dataset designed explicitly for training broadly applicable atomistic models across the periodic table at high levels of theory. MAD-1.5 extends the MAD dataset with targeted enrichment strategies that improve the coverage of chemical space to 102 elements while keeping the total number of configurations compact. All structures are computed with a single, standardized all-electron DFT workflow using the r$^2$SCAN meta-GGA functional and consistent convergence settings, ensuring uniformity across chemically heterogeneous systems. The dataset encompasses molecules, clusters, bulk crystals, surfaces, and low-dimensional structures, and its quality and consistency are further enhanced by outlier removal using uncertainty quantification. We demonstrate the high accuracy that can be achieved with the proposed dataset by training PET-MAD-1.5, a generally applicable r$^2$SCAN interatomic potential that covers 102 elements in the periodic table and achieves exceptional levels of benchmark accuracy and stability in challenging simulation protocols.

The pressure-induced metallic states of light elements attract significant attention, because of potential applications as high-temperature superconductor and high-energy-density material, especially for hydrogen and nitrogen1-10. Several semiconducting polymeric nitrogen phases with three- or two-dimensional sp3-bonded networks were synthesized6-10, but its metallic form remains unobserved. Here, we report the synthesis of a metallic polymeric nitrogen with one-dimensional feature (1D-PN) at 130-140 GPa and above 3000 K. Synchrotron XRD and Raman spectroscopy, supported by DFT calculations, reveal that it adopts an infinite arm-chair like chain with sp2-hybridized pi-bonds. Simulations predict a superconducting transition at 21.19 K under 113 GPa, higher than that reported in high-pressure experiments for non-metallic elements. At ambient pressure, this phase acquiring an energy density of as high as 8.78 kJ/g is not only kinetically stable but also thermodynamically more stable than cubic gauche nitrogen. This multifunctional property profile positions 1D-PN as a disruptive candidate for both electronic and energetic applications.

Nature Chemistry, Published online: 03 March 2026; doi:10.1038/s41557-026-02097-7

Bioisosteric replacement of benzenes with caged hydrocarbons can form enhanced lead compounds with improved drug-like properties, but synthetic challenges limit their application. Now, a collective strategy for synthesizing saturated bioisosteres of 1,2,4-trisubstituted and disubstituted benzenes has been developed. This strategy involves constructing 2-thiabicyclo[3.1.1]heptane scaffolds via cycloaddition of bicyclo[1.1.0]butanes and mercaptoacetaldehyde.

This study presents a unified description of the thermodynamics of ideal quantum gases under nanoscale confinement using a Quantum Phase Space (QPS) formalism. We show that the statistical momentum variances B_ll capture quantum degeneracy: for fermions, they incorporate the Fermi energy, and for bosons, the condensate energy scale. This bridges our formalism with established results and allows both Fermi-Dirac and Bose-Einstein statistics to be treated within a single framework. From this, we derive exact analytical expressions for key properties - internal energy, anisotropic pressure tensor, and heat capacity - seamlessly describing the transition from classical to quantum regimes. Our results reveal that nanoscale thermodynamics is intrinsically anisotropic: pressure becomes direction-dependent, with fractional anisotropy reaching unity under extreme confinement. Notably, pure shape effects, controlled via geometric parameters in B_ll, enable manipulation of phase transitions without altering system size, temperature, or density. Numerical simulations for confined electron and helium-4 gases show significant quantum effects at accessible temperatures (mK to K) for confinement scales of 5-50 nm. This work provides a theoretical toolkit for nanosystems, with direct implications for nanofluidic devices and quantum sensors.

Device stability is crucial for the widespread adoption of organic solar cells (OSCs). We show that the dispersion parameter is another critical factor influencing device stability, yet it is often overlooked. A broader dispersion means more slow-moving carriers, leading to detrimental energy loss. The study demonstrates that the initial morphology of the active layer governs which of these two key transport parameters degrades, providing a new design rule for achieving long-term device stability.

Altermagnetism (AM) is an emerging magnetic order unifying essential characteristics of ferromagnetic and antiferromagnetic states. Despite zero net magnetization, altermagnets (AMs) exhibit spin-split electronic bands and lifted altermagnon spin degeneracy. The altermagnet CrSb has attracted significant interest owing to its large spin-splitting energy. In this paper, we present the growth details of high-quality single crystals of CrSb using the self-flux method. We obtained large (001) oriented hexagonal crystals, up to 2 $\times$ 2.5 $\times$ 1 mm$^3$ in size. We investigated physical properties of the CrSb single crystals through measurements of electrical resistivity, magnetic susceptibility, and specific heat. The residual resistivity ratio (RRR) around 11 indicating the higher crystal quality than previous reports. A pronounced positive magnetoresistance of up to 80\% is observed at 3.5 K. The specific heat was measured down to 0.45 K, revealing the Sommerfield coefficient $\gamma$ = 4.0 $\pm$ 0.08 mJ mol$^{-1}$ K$^{-2}$, indicating weak electronic correlation among the conduction electrons. The room temperature specific heat exceeds the Dulong-Petit limit due to a broad magnon contribution from the altermagnetic order. The data yield the Debye temperature of 321 $\pm$ 5 K and magnon energy gap $\sim$ 16 $\pm$ 1 meV. We also reveal that stoichiometric CrSb does not exhibit superconductivity down to 0.1 K. These findings underscore CrSb as a viable altermagnet for room temperature magnonic and spintronic applications.

Classical hydrodynamics rests on the point-particle idealization, leading to parabolic transport equations, infinite signal speeds, and the inability to capture finite time relaxation, anisotropic transport, or non Fourier thermal phenomena. This work introduces Extended Structural Dynamics (ESD), a kinetic framework in which constituents are described as spatially extended objects possessing orientation, angular momentum, and internal deformation modes. Starting from an extended Boltzmann equation, a Chapman Enskog expansion with BGK closure yields two hyperbolic parabolic transport laws: a dynamical spin equation coupling orientational relaxation to fluid vorticity, and a heat flux relaxation equation with structural thermal conductivity. These equations predict finite propagation speeds for momentum and heat, intrinsic shock regularization, anisotropic transport, and thermal waves. The spin equation provides a kinetic derivation of micropolar fluid theory, while the heat flux equation supplies a microscopic foundation for Cattaneo Vernotte behavior. Quantitative estimates indicate structural contributions can dominate classical transport coefficients. The BGK closure preserves the qualitative geometric structure of extended phase space and captures correct scaling; the connection between the orientational relaxation time and Lyapunov instability is established independently. The resulting scaling laws follow from rotational-translational coupling. Predictions include Mpemba crossover time for colloidal ellipsoids and shock width for asymmetric molecules, both testable with existing techniques.

In this work, we present a capacitively coupled GaAs p +-i-n/substrate photodetector (CC-GaAs PIN/S PD), which also represents a preliminary step toward 3D detection (x, y, time) of high-energy X-ray pulses. Although the final 3D detector will be based on a separate absorption and multiplication avalanche photodiode (SAM APD) design, the present device exhibits characteristics that offer valuable insights into the performance expected once a multiplication layer is incorporated into the final device. In particular, we present a fabrication strategy that employs multi-step annealing in the low-temperature range of 280 330C to achieve Cr/Au ohmic contacts on lightly doped n-GaAs, which is also required for the photodetector architecture. Simultaneously, the same contact preparation process was applied to p + GaAs. Furthermore, the fabricated CC-GaAs PIN/S PD includes an additional contact designed to reduce leakage current by applying the same bias as that of the anode. Measurements performed using an 80 MHz laser demonstrated the photodetector's ability to detect pulses corresponding to 10^6 electrons per pulse.

Author(s): M. C. Angelini, M. Avila-González, F. D’Amico, D. Machado, R. Mulet, and F. Ricci-Tersenghi

A quantitative study of simulated annealing in random $K$-satisfiability and $q$-coloring problems reveals that algorithmic thresholds in combinatorial optimization are heavily dependent on the time scaling relative to system size.

[Phys. Rev. X 16, 011045] Published Tue Mar 03, 2026

Scientific Reports, Published online: 04 March 2026; doi:10.1038/s41598-026-42334-0

Smart city traffic optimization using IoD and IoT integration

Photovoltaic Hall effect is an interesting platform of Berry curvature engineering by external fields. Floquet engineering aims at generation of light-induced Berry curvature associated with topological phase transition in solids, which may manifest itself as a light-induced anomalous Hall effect. However, recent studies have pointed out an important role of the bias electric field, which adds a field-induced circular photogalvanic effect to the photovoltaic Hall effect. Except for numerical studies, the two mechanisms have been described by different theoretical frameworks, hindering a coherent understanding. Here, we develop a unified theory of the photovoltaic Hall effect capable of describing both mechanisms on an equal footing. We reveal that the bias electric field alters the interband transition dipole moment, transition energy, and intraband velocity, all contributing to the field-induced circular photogalvanic effect in nonmagnetic materials. The first process can be expressed as a manifestation of the electric field-induced Berry curvature. Shift vector plays an essential role in determining the transition energy shift. We also clearly distinguish the anomalous Hall effect by light-dressed states within the density matrix calculation using the length gauge. Our theory unifies a number of nonlinear optical processes in a physically transparent way and reveals their geometric aspect.

High-stress silicon nitride (Si3N4) membranes represent the state-of-the-art for cavity optomechanics, combining ultralow dissipation, optical transparency, and full compatibility with wafer-scale nanofabrication. Yet their integration into high-finesse optical cavities has remained difficult, typically requiring bonding or alignment-sensitive assembly that limits scalability and long-term stability. Here, we introduce a monolithic, wafer-level integration strategy that directly suspends high-stress Si3N4 photonic-crystal membranes above thermally compatible SiN/SiO2 distributed Bragg reflectors (DBRs) capable of withstanding the high temperatures required for stoichiometric Si3N4 growth. A defect-free amorphous-silicon sacrificial layer and stiction-free plasma undercut yield vertically coupled cavities with sub-micron spacing-forming self-aligned resonators within seconds of release. Owing to the intrinsic tensile stress, the suspended membranes exhibit atomic-scale sagging, ensuring near-ideal cavity parallelism and long-term stability. Optical reflectivity measurements reveal cavity finesse exceeding 800 with nanoscale gaps between mirrors. Mechanical ringdown measurements show Q 10^5, indicating that DBR integration preserves the low-dissipation character of high-stress Si3N4. This demonstrates that the integration process preserves the material's exceptional dissipation dilution, supporting straightforward extension to high-Q nanomechanical architectures reported in the literature. The resulting Si3N4-DBR platform unites optical and mechanical coherence with high fabrication yield and design flexibility, enabling scalable optomechanical devices for precision sensing and quantum photonics.

We investigate the singular behavior of information flow near the Hopf bifurcation point by analyzing the learning rate, a key quantity in stochastic thermodynamics. As a model system exhibiting the Hopf bifurcation, we study the Brusselator. We first numerically compute the learning rate in the stationary regime and find that it remains finite even in the deterministic limit, suggesting that information flow can be quantified in deterministic dynamics through probabilistic descriptions. Linear analysis accurately reproduces the numerical results in the stationary regime but fails near the bifurcation point. To overcome this limitation, we employ the singular perturbation method, well known in deterministic bifurcation theory, and carry out the corresponding calculation explicitly for a stochastic system described by a Langevin equation. This allows us to evaluate the learning rate near the bifurcation point. We then theoretically derive its non-smooth behavior in the deterministic limit. Our results demonstrate that changes in dynamical behavior are reflected in the information flow and provide a basis for analyzing information processing in biochamical oscillations.

Advanced Materials, EarlyView.

We characterize Feshbach resonances in all isotopologues of the $\mathrm{Li}{-}\mathrm{Li}$ system with improved interaction potentials. Starting from spectroscopically accurate Morse/long-range (MLR) potential-energy curves for the singlet ($X^{1}\Sigma^{+}$) and triplet ($a^{3}\Sigma^{+}$) electronic states of $\mathrm{Li}_2$, we apply small phenomenological inner-wall adjustments (following Julienne and Hutson, Phys. Rev. A 89, 052715 (2014), arXiv:1404.2623v3) and fit the resulting potentials to threshold measurements for the $^{6}\mathrm{Li}{-}^{6}\mathrm{Li}$ and $^{7}\mathrm{Li}{-}^{7}\mathrm{Li}$ isotopologues, including binding energies, scattering lengths, and Feshbach resonance positions. Using the optimized potentials in coupled-channels scattering calculations, we predict and characterize s-wave Feshbach resonances in the $^{6}\mathrm{Li}{-}^{7}\mathrm{Li}$ isotopologue. In its lowest-energy hyperfine channel, all resonances are narrow ($\sim 0.01{-}0.1$ G), strongly closed-channel dominated, and predominantly triplet in electronic spin character, in marked contrast to the homonuclear systems. These results provide a foundation for designing Raman optical-transfer pathways to produce ultracold $\mathrm{Li}_2$ molecules in deeply bound rovibrational levels of both the $X^1\Sigma^{+}$ and $a^3\Sigma^{+}$ potentials across all three isotopologues.

Author(s): J. Lukas K. König, Kang Yang, André Grossi Fonseca, Sachin Vaidya, Marin Soljačić, and Emil J. Bergholtz

We classify gapped phases and characteristic nodal points of non-Hermitian band structures on two-dimensional nonorientable parameter spaces. Such spaces arise in a wide range of physical systems in the presence of nonsymmorphic parameter space symmetries. For gapped phases, we find that nonorientab…

[Phys. Rev. Research 8, 013233] Published Tue Mar 03, 2026

Author(s): Kyungmin Lee, Minwook Kyung, Yung Kim, Jagang Park, Hansuek Lee, Joonhee Choi, C. T. Chan, Jonghwa Shin, Kun Woo Kim, and Bumki Min

We report the first direct mapping of the frequency-resolved local density of states (LDOS) in a photonic time crystal (PTC) implemented as an array of time-periodically modulated LC resonators at microwave frequencies. Broadband white noise probes the system and yields an LDOS line shape near the m…

[Phys. Rev. Lett. 136, 093802] Published Tue Mar 03, 2026

A novel implementation of the linear response time-dependent density functional theory addressing spin excitations in non-collinear magnets based on the Korringa-Kohn-Rostoker Green's function method is presented. Following the exposition of the formalism based on the adiabatic local spin density approximation to the exchange-correlation kernel generalized to the non-collinear case, the computational scheme is discussed in detail. The formation of the Goldstone modes in non-collinear susceptibility calculations is elaborated on formally and from the numerical convergence point of view. The scheme is deployed to study the dispersion, Landau damping, and spatial shapes of magnons for the representative members of the kagome non-collinear antiferromagnets.

Advanced Science, Volume 13, Issue 13, 3 March 2026.

Conventional Boltzmann--Gibbs statistical mechanics successfully describes systems with weak to moderate correlations, where the number of accessible configurations $W(N)$ grows exponentially with the number of degrees of freedom~$N$. However, this framework breaks down for systems with strong correlations or long-range interactions, for which the configuration space exhibits non-exponential growth. While numerous generalized entropies have been proposed to address this limitation, a coherent link to classical thermodynamic laws has remained elusive. Here, we propose group entropies as a unifying framework, defining universality classes of entropies through the asymptotic scaling of $W(N)$, each yielding an extensive entropy. We show that this approach provides the basis for a consistent thermodynamic formulation beyond the Boltzmann--Gibbs paradigm. In particular, by expressing these entropies in terms of thermodynamic state variables and taking the thermodynamic limit, we demonstrate their consistency with classical thermodynamics, in close analogy to the emergence of the Clausius entropy from the Boltzmann--Gibbs formalism. Focusing on the zeroth thermodynamic law, we identify the empirical temperature and, by using Carath\'{e}odory's formulation of the second law, we derive the associated absolute temperature. As an application of the thermodynamic framework obtained, we analyze black-hole thermodynamics using the group entropy class corresponding to stretched-exponential behavior of $W(N)$. In particular, we show that a hallmark property of black holes -- their negative specific heat -- emerges naturally within this framework while the entropy remains extensive. This result holds for the stretched-exponential entropies associated with both the Bekenstein--Hawking and Barrow entropy scalings.

Recent advances in physics-augmented neural networks have enabled thermodynamically consistent data-driven constitutive modeling of complex inelastic materials. Most existing approaches, however, implicitly adopt a specific thermodynamic framework and embed structural assumptions such as normality, dual dissipation potentials, or other structure from manually constructed models directly into the learning architecture. Consequently, differences in predictive performance may arise not only from data or network design, but also from the underlying theoretical assumptions. In this work, we present a unified comparison of several thermodynamically consistent inelastic modeling frameworks from a machine learning perspective. We consider internal-variable formulations with dissipation potential, generalized standard materials, and metriplectic structures, and we analyze their structural assumptions, admissible dependencies, convexity requirements, and implications for dissipation and evolution. Each framework is implemented within a common neural potential architecture based on invariant representations and neural ordinary differential equations. This unified setting ensures that performance differences can be attributed to thermodynamic structure rather than architectural variation. The models are trained and evaluated on three representative inelastic datasets generated from high-fidelity representative volume element simulations: an elastoplastic alloy, a viscoelastic composite, and a rate-dependent crystal plasticity polycrystal. By isolating the role of thermodynamic structure, we assess how restrictions such as duality, normality, operator-based evolution, and convexity influence learnability, expressiveness, stability, and generalization.

Confining light around solids via cavities enhances the coupling between the electromagnetic fluctuations and the matter. We predict that in superconductors this cavity-enhanced coupling enables the control of the order-parameter stiffness, which governs key length scales such as the coherence length of Cooper pairs and the magnetic penetration depth. We explain this as a renormalization of the Cooper-pair kinetic mass caused by photon-mediated repulsive interactions between the electrons building the pair. This effect is generic for Bardeen-Cooper-Schriffer superconductors and is most pronounced in low-$T_c$ materials. The strength of this effect can be tuned via the length of the cavity and we estimate it to be sizable for cavities in the infrared range.

Advanced Science, EarlyView.

Autoregressive models enable tractable sampling from learned probability distributions, but their performance critically depends on the variable ordering used in the factorization via complexities of the resulting conditional distributions. We propose to learn the Markov random field describing the underlying data, and use the inferred graphical model structure to construct optimized variable orderings. We illustrate our approach on two-dimensional image-like models where a structure-aware ordering leads to restricted conditioning sets, thereby reducing model complexity. Numerical experiments on Ising models with discrete data demonstrate that graph-informed orderings yield higher-fidelity generated samples compared to naive variable orderings.

Local decoders provide a promising approach to real-time quantum error-correction by replacing centralized classical processing, with significant hardware constraints, by a fully distributed architecture based on a simple, local update rule. We propose a new local decoder for Kitaev's toric code: the 2D signal-rule, that interprets odd parity stabilizer measurements as defects, attracted to each other via the exchange of binary signals. We present numerical evidence of exponential logical error suppression with system size below some critical error rate, under a phenomenological noise model, with data and measurement errors between each iteration. Compared to previously known local decoders, which exhibit suboptimal thresholds and scaling, our construction halves (in log scale) the threshold gap with state-of-the-art decoders, and achieves optimal scaling for experimentally relevant system sizes, enabling the practical realization of a two-dimensional local quantum memory.

Fredholm integral operators that commute with the Hamiltonians of certain quantum mechanical problems with quartic potentials are introduced. The operators are expressed in terms of an Airy function, and their eigenvalues fall off exponentially fast. They may help with high-accuracy numerical analysis, and their existence leads to dual descriptions in terms of infinite one-dimensional chains with variables on nodes, and weights on nodes and links. The systems discussed include the anharmonic quartic oscillator as well as multivariable potentials and higher dimensional systems, including certain quantum field theories with nonlocal interactions.

We present a rigorous dynamical systems analysis of tubular origami tessellations by identifying the inverse module number, $N^{-1}$, as a perturbation parameter within the framework of Kolmogorov-Arnold-Moser (KAM) theory. In the large-module limit ($N \to \infty$), we prove that the conservative dynamics converges to an integrable map with a variational structure, whose generating function corresponds to the total discrete mean curvature. Although the geometric interpretation of the generating function becomes more complex under perturbations, it is straightforward in the integrable limit, where its structure can be clearly understood. This limit also provides a fundamental framework for characterizing the global behavior of the system. The KAM-predicted persistence of invariant curves is supported by numerical results showing a phase space densely populated with such curves. By adjusting mountain-valley fold assignments and fold lengths, the system can be transformed into a nontwist map that exhibits multiple zero frequencies. The resonance associated with these zero frequencies leads to the emergence of new stable foldable regions in phase space, appearing as elliptic islands. These regions enable the design of foldable configurations that are inaccessible within standard twist regimes. Finally, we analyze the expanding and contracting dynamics of the origami structure within the framework of conformally symplectic systems. By introducing a virtual auxiliary fold as a drift control mechanism, we numerically confirm the existence of stable quasi-periodic attractors.

The harmonic approximation of ionic fluctuations and the linear coupling between phonons and electrons provide the standard framework to compute, from first principles, the contribution of nuclear dynamics and its interaction with electrons to materials properties. These approaches become questionable when quantum and anharmonic effects are significant, such as in hydrogenous systems, high-$T_c$ superconductors, and systems close to displacive phase transitions. Here we propose a novel non-perturbative approach to compute the electron-phonon interaction from first principles, including non-linear effects and accounting for the quantum nature of nuclei. The method is based on the $GW^{ph}$ approximation for the electron self-energy, given by the nuclei-mediated electron-electron interaction $W^{ph}$ and the electron Green's function $G$. Electrons are treated at a mean-field level, while nuclear dynamics is described by a Gaussian distribution function that captures anharmonic effects, for example within the self-consistent harmonic approximation. The key quantities of the Gaussian $GW^{ph}$ self-energy are renormalized average vertices, computed in supercells using a stochastic approach based on self-consistent electronic potentials for distorted configurations. To validate the method, $GW^{ph}$ calculations are performed on aluminum, where the results reproduce standard linear electron-phonon theory, and on palladium hydride, where strong non-linear contributions emerge, with corrections comparable in magnitude to the linear-order result.

arXiv:2512.22888v3 Announce Type: replace-cross Abstract: Fracton codes have been intensively studied as novel topological states of matter, yet their fault-tolerant properties remain largely unexplored. Here, we investigate the optimal thresholds of self-dual fracton codes, in particular the checkerboard code, against stochastic Pauli noise. By utilizing a statistical-mechanical mapping combined with large-scale parallel tempering Monte Carlo simulations, we calculate the optimal code capacity of the checkerboard code to be $p_{th} \simeq 0.107(3)$. This value is the highest among known three-dimensional codes and nearly saturates the theoretical limit for topological codes. Our results further validate the generalized entropy relation for two mutually dual models, $H(p_{th}) + H(\tilde{p}_{th}) \approx 1$, and extend its applicability beyond standard topological codes. This verification indicates the Haah's code also possesses a code capacity near the theoretical limit $p_{th} \approx 0.11$. These findings highlight fracton codes as highly resilient quantum memory and demonstrate the utility of duality techniques in analyzing intricate quantum error-correcting codes.

Scientific Reports, Published online: 04 March 2026; doi:10.1038/s41598-026-42978-y

A conditioning factor selection framework considering sample heterogeneity in debris flow susceptibility mapping

Scientific Reports, Published online: 03 March 2026; doi:10.1038/s41598-026-40575-7

Author Correction: A Model of Exposure to Extreme Environmental Heat Uncovers the Human Transcriptome to Heat Stress