AI for Science

We investigate whether giant fluctuations in a gas can induce corresponding fluctuations on a reactive surface in contact with the gas. Numerical simulations of a minimal heterogeneous catalytic reactor demonstrate that such fluctuations indeed emerge on the surface, with spatial correlations extending over micrometer scales. These fluctuations originate from the dependence of the adsorption rate on the reactant partial pressure. As a result, the surface-coverage structure factor mirrors that of the partial pressure, exhibiting similar enhancement and roll-off behavior across wave numbers.

Electrothermal characterization based on the third or other harmonics of an ac Joule heating current is widely deployed for the thermal analysis of solid conductors and their environment, including solid substrates and fluids. However, a unified theory that bridges heat transfer in two archetypal experimental geometries - suspended vs. substrate-supported conductor - has been missing. Here, we present and validate such a theory that explicitly accounts for finite conductor length, thermal mass, and environmental coupling through a unified thermal transfer function. This framework enables the prediction of voltage responses at all harmonics of the driving current (dc, 1$ω$, 2$ω$, 3$ω$) and the formulation of design principles for the characterization of nanoscale conductors. The conductor length $l$ is the primary parameter controlling the frequency regime at which the conductor's thermal mass dominates the thermal response, with the characteristic frequency $ω_\mathrm{c}=α/l^2$, where $α$ is the conductor's thermal diffusivity - closely related to a criterion previously reported for suspended wires free from environmental coupling. Our unified framework generalizes this result, revealing that sufficiently weak environmental coupling is a necessary condition for $ω_\mathrm{c}$ to govern the onset of thermal-mass-dominated response. Optimization of interfacial thermal resistance and environmental thermal impedance may further improve temperature resolution and facilitate on-substrate implementations.

Ferroelectric materials, with their strong nonlinearities, underpin key technologies across radio-frequency (RF) signal processing, optical communications, and emerging quantum systems. Barium titanate (BTO) is a notable example, combining strong piezoelectric and electro-optic responses. While bulk BTO has been studied for decades, the piezoelectric properties of its recently available thin films, and their behavior at the millikelvin temperatures relevant to quantum hardware, remain largely unexplored. Here, we fabricate and characterize surface acoustic wave (SAW) resonators on thin-film BTO. The measured devices exhibit high electromechanical coupling (k2eff 0.14 at 5.2 GHz) and operate up to 7.8 GHz. From these measurements, combined with finite-element modeling of the multi-domain microstructure, we extract an effective piezoelectric coefficient d33eff of 53 pC/N, comparable to bulk BTO. Exploiting the intrinsic ferroelectricity, we further demonstrate low-voltage switching with a fast (100 ns) response, attractive for reconfigurable RF front-ends and parametric amplifiers. Extending these measurements to millikelvin temperatures, we find that the piezoelectric response persists, with d33eff 19 pC/N, pointing to the potential of BTO for piezoelectric coupling in superconducting quantum circuits. These results position thin-film BTO as a promising piezoelectric platform for both classical and quantum information technologies.

The $δ$ phase of Niobium Nitride (NbN) is a promising superconducting material, which is chemically stable and shares lattice compatibility with conventional III-Nitride semiconductors. Due to a high critical temperature (T$_{c}$) and a high critical (magnetic) field (H$_{c}$), NbN is much-coveted for a diverse set of applications spanning from single photon detectors, and hot-electron bolometers to quantum computing architectures using superconducting circuits. However, synthesizing high-quality epitaxial films of phase pure and stoichiometric $δ$-NbN in a cost-effective manner, is challenging. In this study, we investigate the epitaxial growth of single crystalline $δ$-NbN on TiN-buffered c-sapphire (Al$_{2}$O$_{3}$) substrates by sputtering at room temperature. For these films, we demonstrate a surface-roughness in picometer-scale, the lowest reported till date. The critical temperature (T$_{c}$) of the epitaxial $δ$-NbN films was observed to decrease with the insertion of the TiN buffer layer, tentatively attributable to the leakage of Cooper pairs, due to the proximity effect. TiN and NbN layer behave as a bilayer system, wherein Cooper-pair leakage is facilitated by the absence of any oxide interlayer. Consequently, T$_{c}$ reduces with increasing thickness of the TiN layer.

Thermal runaway remains a critical safety concern in battery systems and other thermally active devices, necessitating reliable methods for predicting the conditions under which thermal runaway may occur. In this work, we develop a finite element framework for assessing thermal stability in systems undergoing transient heat conduction with temperature-dependent internal heat generation. The formulation leads naturally to a generalized eigenvalue problem, wherein the sign of the smallest eigenvalue provides a direct criterion for determining the onset of thermal runaway. This approach enables direct prediction of thermal runaway thresholds in geometrically complicated problems without requiring computationally expensive transient analysis. The proposed methodology is validated through comparison with analytical solutions for a cylindrical Li-ion cell, as well as with a pack of cylindrical cells, demonstrating excellent agreement in both cases. Based on this model, the influence of material properties, boundary conditions, geometric parameters, and spatially varying heat generation on stability limits is examined. A key advantage of this formulation is its effectiveness even for complex geometries where analytical methods become impractical. By providing a systematic and computationally efficient means to identify stability thresholds, the present work offers a practical tool for the thermal design and safety assessment of battery systems.

Manganese selenide (MnSe) is a promising air-stable two-dimensional magnetic semiconductor for which theory predicts robust ferromagnetism in monolayers with Curie temperatures approaching 250 K. However, the crystallographic phases and magnetic properties of thin-film MnSe grown by scalable methods remain poorly understood. Here, we demonstrate the controllable growth of $α$- and $β$-phase MnSe on C-face sapphire using a three-zone chemical vapor deposition process with elemental Se and ${MnCl_{2}}$ precursors in an $Ar/{H_{2}}$ atmosphere. Using Raman spectroscopy, atomic force microscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy, we show that our process yields phase-pure $α$-MnSe nanorods and $β$-MnSe triangular flakes with lateral sizes up to 20 $μm$ and thicknesses of 15-30 nm. Low-temperature photoluminescence of the $β$-phase films reveals a bandgap of approximately 2.0 eV. Systematic variation of growth parameters shows that precursor vapor pressure, rather than ${H_{2}}$ partial pressure, is the dominant factor controlling lateral flake size. Vibrating-sample magnetometry measurements reveal a $N{é}el$ temperature of 53 K in the $β$-phase films, providing clear evidence of antiferromagnetism in the multilayer regime and establishing MnSe as a tunable platform for 2D spintronic and optoelectronic devices.

Calcium (Ca) insertion into graphite (C) has been considered to require elevated temperatures, and its occurrence at room temperature (RT) has been regarded as highly unlikely. Here, we demonstrate that sodium (Na) catalysis enables the formation of superconducting CaC$_6$ even at RT. In mixtures of Ca, Na, and graphite, the gradual development of superconducting diamagnetism and the emergence of X-ray diffraction peaks confirm the formation of CaC$_6$ during storage at RT. The superconducting transition temperature increases with storage time, and the amount of CaC$_6$ scales proportionally to the square root of storage time. These findings provide new insights into the mechanism of superconductivity and Na-catalyzed formation of CaC$_6$, and highlight the potential of this RT intercalation process for practical applications such as electrode materials in Ca-ion batteries.

Two-dimensional (2D) materials often require specific substrate terminations for epitaxial stabilization, yet the search for suitable templates has largely focused on low-index metal surfaces, which may not provide the optimal conditions for the growth of new phases. Here, we show that crystal-facet engineering on curved Cu surfaces enables the stabilization, within a single preparation step, of two distinct 2D phosphorus phases with different electronic properties. Hexagonal blue phosphorene forms on Cu(111) terraces, whereas a previously unreported skewed-square phosphorus phase is stabilized on Cu(513) facets. By combining complementary microscopy and spectroscopy techniques with theoretical calculations, we determine the structural and electronic properties of this new phase, which displays semiconducting character, in contrast to the metallic behavior of blue phosphorene. The coexistence of these two competing phases gives rise to a metal-to-semiconducting transition of the 2D phosphorus layer over the substrate. Locally, the competition between the two phases gives rise to self-aligned nanoarrays of alternating metallic and semiconducting phosphorus terraces. These results establish crystal-facet engineering as a practical route for discovering and stabilizing emergent 2D material phases on high-index substrates, while also enabling the engineering of nanostructures with tailored electronic properties through a simple and scalable growth process.

Silicon-vacancy (SiV) centers in diamond combine near-infrared emission with solid-state robustness, but their performance hinges on isolating favorable defect charge states. We demonstrate static and dynamic control of ultra-shallow (<15 nm) SiV ensembles in type IIa diamond. By combining low-energy ion implantation with tailored oxygen and hydrogen terminations, we map regimes that maximise the fluorescent SiV- population over dark charge states. We then realize reversible SiV- to SiV0 conversion using aqueous electrolytic gating with sub-200 mV biases and low optical powers. Our results enable low-power electrical control of SiV ensembles for integrated quantum photonics and biologically compatible voltage imaging in the near-infrared.

Altermagnetism defines a third fundamental class of collinear magnetic order, featuring compensated magnetic moments with antiparallel spin alignment, yet lifted Kramers degeneracy without the need for relativistic spin-orbit coupling. Its ability to host spin-polarized electronic bands and unconventional chiral magnons makes it a promising platform for functional materials. However, experimental verification has proven challenging; while circular dichroism in resonant inelastic X-ray scattering (RIXS) has been suggested as a signature of chiral magnons, it remains controversial whether this effect is an intrinsic property of altermagnetism or an artifact of experimental geometry. In this work, we resolve this debate and provide unambiguous experimental evidence of $d$-wave altermagnetism in the strongly correlated Lieb-lattice magnet La$_2$O$_3$Mn$_2$Se$_2$. The RIXS spectra exhibit a $d$-wave-symmetry circular dichroism in the magnetic excitations that vanishes in the paramagnetic phase. Through RIXS-operator symmetry analysis and exact-diagonalization calculations, we prove that the observed dichroism is a direct consequence of altermagnetic symmetry constraints, independent of magnon branch splitting. Our results provide definitive evidence for the experimental realization of $d$-wave altermagnetism in La$_2$O$_3$Mn$_2$Se$_2$ and establish circularly polarized RIXS as a highly symmetry-sensitive spectroscopic framework for detecting magnetic phases that evade conventional probes.

Collinear antiferromagnets with broken time-reversal symmetry have emerged as a fertile platform for spintronics. Using a general tight-binding model and first-principles calculations, we show that strain engineering provides a simple route to control magnetic phase transition and activate transverse responses in representative altermagnets RuO$_2$ and MnF$_2$. For pristine RuO$_2$ and MnF$_2$ with Néel vector $\mathbf{n}\parallel$ [001], symmetry constrains the off-diagonal elements of the Hall conductivity tensor to vanish, thereby forbidding anomalous transport and magneto-optical responses. Shear strain applied along the $ac$ direction preserves the spin symmetry relating the two spin-opposite magnetic sublattices and therefore maintains the altermagnetic phase. By contrast, shear strain applied along the $ab$ direction breaks this spin symmetry and drives a transition from an altermagnetic phase to a partially compensated ferrimagnetic phase in metallic RuO$_2$ and to a fully compensated ferrimagnetic phase in semiconducting MnF$_2$. In addition, the lowered symmetry enables finite anomalous Hall, anomalous Nernst, and anomalous thermal Hall conductivities, as well as magneto-optical rotation angles, which are prohibited in the pristine systems. These responses exhibit a clear strain dependence and become progressively stronger as the strain amplitude increases. Our results establish strain engineering as an effective route to manipulate magnetic phases and functional responses in unconventional antiferromagnets, thereby expanding opportunities for antiferromagnetic spintronics and magneto-optical applications.

Twisting layered materials produces moiré superlattices, but prescribed twist angles are usually obtained by demanding assembly procedures. Here we show that montmorillonite, an abundant swelling clay, forms tunable moiré superlattices naturally. Focal-series high-resolution transmission electron microscopy, geometric phase analysis, and molecular dynamics simulation reveal that its apparent rotational disorder is biased toward low-angle misorientations inherited from discrete hydration states. Multilayer stacks preferentially adopt twists near 1-2°, 4°, and 10°, producing long-wavelength moirés without long-range rotational order. We define this kinetically trapped state as a moiré glass, distinct from featureless turbostratic stacking. Simulations indicate that lattice-charge disorder stabilizes the angular preferences, whereas charge ordering promotes random stacking. Hydration screens interlayer interactions and lubricates twist, while dehydration arrests the resulting configurations in discrete steps. These results establish dynamic hydration as a macroscopic handle for programming twist in layered matter.

We generalize the augmented Roothaan-Hall (ARH) Hessian formalism to the self-consistent field (SCF) optimization of spin-restricted open-shell (RO) wavefunctions, encompassing high-spin, low-spin, and two-determinant electronic states. A detailed ARH formulation is presented. We demonstrate that ARH is a highly efficient optimization algorithm for rapidly identifying accurate SCF minima, primarily owing to its systematic construction of an effective Hessian, particularly in the case of Euclidean quadratic energy functions. The ARH is built upon a universal energy formulation, including grid-based integration, for spin-restricted closed-shell, spin-unrestricted and RO density functional theory (DFT), thereby unifying and simplifying their numerical implementation. The performance of the present method is evaluated using two benchmarking studies. First, for a series of iron-sulfur clusters exhibiting different spin states, which represent notoriously challenging SCF problems, the ARH algorithm demonstrates superior convergence efficiency relative to L-BFGS and truncated Newton methods, requiring much fewer RO-SCF iterations to achieve convergence. Second, the ARH approach avoids convergence to higher-energy stationary points in two-determinant RO-SCF calculations for singlet excited states of selected photoactive compounds. Finally, an application of the ARH-based RO-SCF is illustrated by an investigation of the mechanistic origin of the spin-crossover phenomenon in Ni(II)-porphyrin complex utilized as a contrast agent.

Hydrogen embrittlement (HE) has persisted for more than a century as one of the most intractable problems in materials science. The prevailing view1 that diffusive H governs embrittlement has fostered the widespread assumption that H trapping at crystal defects mitigates HE. Here we overturn this conventional paradigm. Using plasma/ion irradiation of tungsten, we decouple -- for the first time -- H-induced crack nucleation from subsequent cavity propagation, and reveal nucleation as a two-stage mechanochemical fracture instability enabled by trapped H in the absence of diffusive H. In the first stage, H accumulation to a critical occupancy at dislocation cores acts as a chemical fuse, collapsing the local cohesive strength to a threshold at which infinitesimal external loads can trigger atomic decohesion. This bond rupture instantaneously enables the second stage: confined recombination of atomic hydrogen into molecular form. The abrupt release of chemical energy within an atomically restricted volume generates a transient inflation pressure that drives a dynamic, brittle jump to an internal macroscopic cavity. By separating mechanical decohesion triggering from energetic crack driving, our results provide a deterministic framework for the onset of H-induced crack nucleation under low-stress conditions. Furthermore, we place experimentally the classical H-enhanced decohesion model on an atomistic foundation and elevate it from phenomenology to prediction. Finally, by shifting the focus from experimentally elusive diffusive H to directly measurable trapped H, this work reframes HE as a deterministic, quantifiable instability, establishing a new paradigm for understanding and mitigating H-induced failure in high-strength metals.

The celebrated analogy between the pressure-temperature phase diagram of a liquid-gas system and the field-temperature phase diagram of a ferromagnet has long been a cornerstone for understanding universality of phase transitions and critical phenomena. Here we extend this analogy to a highly frustrated antiferromagnet, the spiral Ising compound Nd$_3$BWO$_9$ with kagome layers. In its phase diagram, we identify a metamagnetic transition line with a critical endpoint (CEP) located at $μ_0H_{\mathrm{c}} \simeq 1.04$ T and $T_{\mathrm{c}} \simeq 0.3$ K. Above the CEP, an Ising supercritical regime emerges with crossover lines that follow a universal scaling law, as evidenced by the specific heat, magnetic susceptibility, and magnetocaloric measurements. Remarkably, we observe highly sensitive magnetic cooling near the emergent CEP, characterized by a divergent magnetic Grüneisen ratio $Γ_H \propto 1/t^{β+γ-1}$, with $β+ γ\simeq 1.563$ the sum of critical exponents of the 3D Ising universality class and $t \equiv (T-T_{\rm c})/T_{\rm c}$ the reduced temperature. Adiabatic demagnetization from 2 K and 4 T reaches a minimum temperature of 195 mK, via a self-cascading process that combines supercritical and topological cooling. Our findings open a new avenue for studying supercritical phenomena and magnetic refrigeration with the frustrated rare-earth compounds RE$_3$BWO$_9$ and, more broadly, in Ising-anisotropic antiferromagnets such as spin ices.

In twisted bilayer graphene, a unified understanding of the mechanisms governing temperature-dependent electronic spectra and thermodynamic properties remains controversial despite extensive theoretical efforts. Here, we present a comprehensive theoretical framework that quantitatively accounts for scanning tunneling spectroscopy, quantum twisting microscopy, and thermodynamic properties of magic angle twisted bilayer graphene. We demonstrate that the observed behavior arises from the interplay between electron correlations and external symmetry-breaking induced by strain and lattice relaxation. These effects act cooperatively to shape the emergent electronic behavior, leaving characteristic signatures across spectroscopy, compressibility and entropy.

Universal machine learned interatomic potentials (uMLIPs) embody a growing area of interest due to their transferability across the periodic table, displaying an error of about 0.6 kcal/mol against the Matbench Discovery test set. However, we show that achieving more accurate predictions on out-of-domain tasks requires fine-tuning. Additionally, we investigate the existence and influence of model biases in molecular dynamics (MD) by examining two approaches for data generation: from multiple MD trajectories in parallel, which we call naive fine-tuning, and from a single MD trajectory with fine-tuning after set intervals, which we call periodic fine-tuning. Our results find that naive fine-tuning generates constrained datasets that fail to represent MD simulations, and thus downstream fine-tuned models fail during extrapolation. In contrast, periodic fine-tuning yields models which are more generalizable and accurate, producing low-error dynamics. These findings indicate the role of uMLIP bias in fine-tuning, and highlights the need for multiple fine-tuning steps. Lastly, we relate unphysical behavior to principal component space, and quantify extrapolations through Q-residual analysis, which are useful as a proxy for epistemic uncertainty for larger simulations.

Understanding and controlling the energy level alignment at interfaces between lead halide perovskites and electron transport layers is crucial for optimizing perovskite-based devices such as solar cells. In this work, we investigated the energy level alignment of C60 on in-situ cleaved MAPbI3 single crystals in multiple repeat experiments using photoelectron spectroscopy aiming to resolve inconsistencies reported in earlier studies. Our results show that both materials remain chemically stable upon interface formation, in contrast to the strong reactions typically seen when metals are evaporated on perovskite surfaces. By analyzing the Pb 4f and C 1s binding energies in detail, we determined that C60 consistently exhibits a downward energy shift toward MAPbI3, which works against efficient charge extraction. The magnitude of this shift, however, varies between different sample positions, highlighting that small variations in sample surfaces can lead to significant differences in energetic alignment. At higher C60 coverages of more than 5 monolayers, a constant HOMO-valence band offset of 0.52 eV was obtained. These findings underscore the decisive role of surface chemistry on interfacial energetics, explain performance variability in perovskite devices, and demonstrate the need to control and accurately measure surface properties. Furthermore, the observed energetic alignment can explain why further interface modification by charge blocking layers or surface passivation is needed for optimized device efficiencies.

A two-dimensional topologically nontrivial state of noninteracting electrons, such as the surface state of a three-dimensional topological insulator, is predicted to realize a topological superconductor when proximity-coupled to an ordinary $s$-wave superconductor. In contrast, noninteracting electrons partially occupying a Landau level, with Rashba spin-orbit coupling that lifts the spin degeneracy, fail to develop topological superconductivity under similar proximity coupling in the presence of the conventional Abrikosov vortex lattice. We demonstrate, through exact diagonalization, that introducing in this model a repulsive interaction between electrons induces topological superconductivity at half-filled Landau level for a range of parameters. This appears rather surprising because a repulsive interaction is expected to inhibit, not promote, pairing, but suggests an appealing principle for realizing topological superconductivity: proximity-coupling a composite Fermi liquid to an ordinary $s$-wave superconductor.

Altermagnets are a newly identified class of magnetic materials that combine vanishing net magnetization within the unit cell with spin-split electronic states. Their theoretical description relies on symmetry properties of the bulk band structure. Surfaces and thin films, however, inherently break these symmetries. Here, we investigate the consequences of such symmetry reduction for the electronic structure of bulk altermagnets near the surface and of thin films. When the surface coincides with a symmetry plane of the bulk altermagnetic order, the resulting two-dimensional Brillouin zone exhibits spin-degenerate bands, corresponding to conventional antiferromagnetic behavior. In all other cases, the symmetry of the altermagnetic order is reduced, leading to modified spin splitting. Remarkably, we discover a thin-film geometry of a $g$-wave altermagnet with a particular surface orientation that enables a $d$-wave spin splitting, which is commonly accompanied by the spin-splitter effect, suggesting the functionalization of non-$d$-wave altermagnets by surfaces. Our findings demonstrate that symmetry breaking at surfaces and in thin films fundamentally reshapes altermagnetic spin textures, providing a tunable platform for controlling spin-dependent electronic phenomena.

We present a first-principles study of the natural optical activity of the gyroelectric Pb$_5$Ge$_3$O$_{11}$ crystal, explicitly accounting for spin-orbit coupling (SOC) effects. We derive a new analytical expression for the gyration coefficients within the recent framework of long-wavelength density-functional perturbation theory [Phys. Rev. Lett. \textbf{131}, 086902 (2023)], which significantly improves computational efficiency by reducing the number of required response functions and includes spin-orbit coupling effects. We use this implementation to investigate the evolution of Pb$_5$Ge$_3$O$_{11}$'s optical rotation across the ferroelectric double-well, from the paraelectric $P\bar{6}$ phase to the ferroelectric $P3$ phase. Our results demonstrate that, in addition to the substantial renormalization of the double-well energy, spin-orbit coupling contributions play an equally crucial role in the natural optical activity, largely through purely electronic contributions, while SOC-induced structural relaxation effects are minor.

We report an experimental investigation of the magnetic microstructure of iron oxide multicore assemblies by means of polarized small-angle neutron scattering (SANS). Guided by a recently developed analytical theory for vortex-state magnetic nanoparticles, we provide a quantitative comparison between the measured and calculated cross sections, revealing signatures that are consistent with vortex-type magnetization configurations at low applied magnetic fields. In particular, the field evolution and the characteristic isotropic ring-type feature of the spin-flip scattering intensity at intermediate momentum transfers are in line with the formation of flux-closure states. The latter are stabilized by the interplay of exchange, Zeeman, and magnetostatic energies. The methodology allows for a statistically significant characterization of vortex states in densely packed nanoparticle systems, thereby complementing surface-sensitive techniques that are commonly limited to the observation of spin structures in individual particles.

Thermally driven quantum-orders observed in exceptional instances may redefine the role of thermal-fluctuation from a source of decoherence to a resource for coherent-state engineering. While preliminary signs of counterintuitive temperature-rise-triggered superconductivity manifested in CeCu2Si2, ErRh4B4, Ho1.2Mo6S8 and (La,Ce)Al2, their critical-temperatures (Tc-inv) remain below Kelvin-range, precluding substantial applications. Here, we report field-modulated inverse-superconducting-transitions above 4He-cooling-limit in Eu-based infinite-layer nickelates (EuxNd1-xNiO2 and EuxPr1-xNiO2) grown on a substrate under both overdoped and underdoped regimes. Paradigmatically, superconductivity with zero-resistance is confined between Tc-inv (2.6-5.4 K) and another higher normal-Tc, rising and decreasing with applied magnetic-field, respectively. Starting from the resistive-state below Tc-inv, the inverse-superconducting-transition is driven by not only temperature-rising, but also current-density, while superconductivity further vanishes at higher temperature and current thresholds. The Kelvin-range inverse superconducting transition is plausibly explained by temperature-induced alternating dominance of effective magnetic-fields arising from Eu2+4f7 related compensations relative to the upper-critical-field. Furthermore, an extended-phenomenological-framework is also supported by reemerged superconductivity below 300 mK under magnetic-field, giving rise to an unprecedented temperature-induced reentrant superconductivity. Our findings establish magnetic-interaction-reconfigured high-Tc systems as fertile platforms for exploring quantum phenomena that reverse thermal-decoherence paradigm, also enabling antithetical-designs to unlock untapped application-scenarios for quantum-phase-transition devices.

Recent tunneling measurements on $β$-PdBi$_2$ reported a magnetic field induced phase transition from a fully gapped to a nodal superconducting state. We develop a microscopic theory of superconductivity in this multi-band material, taking into account spin-orbit coupling and Zeeman splitting. We show that there are two attractive pairing channels in this system: an s-wave and a p-wave. At zero magnetic field, s-wave superconductivity wins. At a finite field, this channel becomes less favorable because Fermi surfaces split, and the gap symmetry changes to p-wave. We show that at a higher field, the excitation spectrum of a p-wave multi-band superconductor becomes gapless, with nodal points located in between the split Fermi surfaces. We argue that this behavior accounts for the experimentally observed field-induced nodal superconductivity in $β$-PdBi$_2$.

Moiré multi-layers of transition metal dichalcogenides have been shown to exhibit optical responses that are endowed with a richness that is absent in single monolayers. Much of this can be attributed to the Moiré superlattice that modulates the electronic landscape of these heterostructures. Strongly coupled layer-hybridized excitons in $\text{MoSe}_2 / \text{WS}_2$ heterobilayers have been shown to exhibit enhanced optical nonlinearities. In this work we strongly couple layer hybridized excitons and trions in n-doped $\text{MoSe}_2 / \text{WS}_2$ heterobilayers inside an optical microcavity. We find that the additional Lindhard screening from dopant electrons and the formation of trions result in a strikingly non-monotonic nonlinear response. The absence of electron capture in the Moiré superlattice plays a crucial role, promising very large second-order nonlinearities. In this work, trion polaritons manifest as high velocity hot polaritons, reaching nominal diffusion lengths approaching 100 microns.

Cryogenic hydrogen isotope fuel layers with high structural integrity and atomic-scale smoothness are prerequisites for symmetric implosion and ignition in inertial confinement fusion (ICF). Using deuterium (D$_2$) as model fuel, we perform large-scale molecular dynamics simulations with a Feynman-Hibbs corrected Silvera-Goldman potential to describe nuclear quantum effects at low temperatures, systematically investigating D$_2$ crystallization inside spherical ablator capsules. By varying substrate lattice constant from 3.1 angstrom to 3.9 angstrom, we demonstrate that lattice matching dictates the transition from coherent epitaxial growth to polycrystalline formation, establishing it as the primary design principle for high-performance targets. When the substrate lattice closely matches the equilibrium hexagonal-close-packed (HCP) spacing of cryogenic D$_2$ (approximately 3.5 angstrom), D$_2$ forms coherent layer-by-layer epitaxial growth consistent with Ostwald's stepwise nucleation theory, yielding HCP-dominated near-single crystals with minimal dislocations and ultra-smooth inner surfaces. In contrast, large lattice mismatch destabilizes coherent growth and causes island-like growth, producing polycrystalline structures with mixed HCP/FCC phases, elevated defects, and greatly increased surface roughness. Radial stress analysis shows that interfacial stress from mismatch localizes within 2-3 molecular layers near the interface, triggering subsequent defect-mediated growth. These findings highlight substrate lattice matching in regulating confined solid growth and crystallization quality, establish it as a key principle for ablator inner-surface engineering in ICF cryogenic targets, and offer atomic guidance for growing high-quality single-crystal deuterium-tritium (DT) fuel layers with optimal smoothness.

Advances in novel materials science enable structures to function as intelligent machines by embedding memory and learning capabilities directly into materials. Our work introduces a physical adaptive material motor unit neural network,leveraging a new generation of controllable actuators composed of wood- and carbon black-based composites, sensitive to temperature and relative humidity. These material actuators are assembled into a motor unit-like structure inspired by muscle contraction trigger, forming an intelligent machine capable of dynamic shading control that can be used, for example, in buildings. The machine is governed by a neural network trained on over 350 experimental data points collected under diverse environmental conditions. By establishing a new data-aware backpropagation training, we show that the machine predicts shading responses and learns to predict appropriate behaviour incrementally as the database expands. We also demonstrate the ability of the machine to optimise configurations to achieve similar shading outputs under two distinct conditions.

We show that the broad X-ray photoelectron lines of silicon oxide on silicon arise from a continuous statistical distribution of core-level binding energies. Statistical simulations spanning compositions from Si to SiO$_2$ reproduce the full extent of this broadening, reaching 5 eV for SiO$_{1.0}$ , in quantitative agreement with 0.23 nm layer-resolved spectra reconstructed from Ar$^+$ sputtering data. This continuous distribution blurs distinct spectral fingerprints of local structural motifs, thereby challenging conventional chemical state assignment in oxide X-ray photoelectron spectra.

The realization of Coulomb coupled electron-hole double layers in 2D semiconductor heterostructures has enabled the thermodynamic and transport studies of equilibrium exciton fluids without a magnetic field. By doping the exciton fluid with additional electrons/holes, an equilibrium fluid of trions - three particle bound states of electrons and holes - further emerge, providing the platform to explore new transport phenomena associated with such composite particles. Here we report the observation of a Hall effect for trions in MoSe2/WSe2 heterobilayers, which support Coulomb-coupled electron and hole fluids with tunable densities. The Hall effect arises from a Lorentz force on trions under a perpendicular magnetic field. It is manifested in both Hall drag measurements and standard Hall effect measurements on just one of the semiconductor layers. For negatively charged trions, an electron Hall effect is observed even in a hole doped WSe2 monolayer due to the presence of trion drags. The trion Hall effect also disappears when the trions are ionized at elevated temperatures and/or high trion densities. Our work opens the door for realizing quantum oscillations and the quantum Hall effect for trions.

By assuming reversible H-bonding association and dissociation, this work provides a description of the supramolecular structure and dynamics of monohydroxy alcohols (MAs) within the framework of a recently proposed living chain model (LCM). Structurally, reversible H-bonding leads to a single exponential distribution of the molar concentration of the supramolecular chain with length N. Dynamically, reversible H-bonding enables supramolecular chain breakage and recombination, which modifies the relaxation time of the supramolecular chains. In addition to the structural relaxation, tau_a, and the Debye relaxation, tau_D, two other relaxation times are revealed: the chain breakage time, tau_B, and the H-bonding lifetime, tau_H. The interplay among these four-time scales defines five distinct dynamics regimes. In Regimes I and V, no supramolecular chains form. In Regimes II and IV, supramolecular chains form and give a Debye relaxation. The characteristic chain length scales as Nc~tau_D/tau_a. In these two regimes, the H-bonding lifetime controls the Debye process. In Regime III, large supramolecular chains form. In all regimes with supramolecular chain formation, the Debye relaxation comes from the overall chain end-to-end dipole reorientation and scales with Nc. Excellent agreements between experiments and LCM have been observed, leading to quantitative descriptions of the dielectric and linear viscoelastic properties of MAs. These results thus establish a theoretical framework linking reversible H-bonding interactions to supramolecular structures, dynamics, and macroscopic properties of MAs.