Altermagnets provide a promising platform for spin-polarized transport without net magnetization, but their transport properties are usually discussed in terms of momentum-space spin splitting. Here, using first-principles calculations and quantum transport simulations, we show that the charge-ordered altermagnet α-Fe_2PO_5 exhibits a distinct form of real-space spin selectivity despite weak altermagnetic spin splitting near the Fermi level. The charge order creates inequivalent Fe^2+ and Fe^3+ sites within each sublattice, while the puckered C-type antiferromagnetic stacking suppresses inter-sublattice transport. As a result, electron and hole doping activate spin-polarized transport predominantly through Fe^3+- and Fe^2+-based channels, respectively. These atom-selective channels carry opposite spin polarizations on the two antiferromagnetic sublattices, giving rise to a globally compensated charge current with hidden Néel spin character. We further propose an all-in-one α-Fe_2PO_5 tunnel junction, where matching or mismatching atom-selective conduction channels yields orders-of-magnitude conductance modulation. Our findings establish a real-space design principle for atomically controlled spin functionality and spintronic devices.
The it-it stacking effect is a critical determinant of the optical properties of organic charge-transfer (CT) cocrystals. Piezochromic materials commonly exhibit pressure-induced red-shifted and quenched emissions due to enhanced intermolecular it-it stacking and molecular planarization. Consequently, designing unconventional pressure-enhanced luminescent materials remains a significant challenge. Herein, we report two CT co-crystals: acridine-TCNB (AT) and phenazine-TCNB (PT) - with distinct donor molecular architectures. By modulating intermolecular interactions under high pressure, we investigate their luminescence responses via their differing it-electron distributions. While PT co-crystals displayed luminescence quenching, AT co-crystals unexpectedly exhibited enhanced emission under pressure. This outcome validates that tailoring the it-electron delocalization in donor molecules provides a viable strategy to control pressure-induced intermolecular interactions in cocrystals, thereby dictating their pressure-responsive luminescence behaviors.
Co3O4 catalysts were grown on ZnO/carbon cloth (CC) by electrodeposition and then the ZnO layer was etched by KOH, and the electrocatalytic water oxygen evolution reaction was investigated. The introduction and etching of ZnO layer can enhance the specific surface area of Co3O4 due to the increased interface between Co3O4 layer and CC as well as the smaller grain size, leading to more active site exposure. Moreover, oxygen vacancies were increased obviously through the above processing, leading to the further improvement in oxygen evolution reaction performance. The porous Co3O4 through ZnO etching was exhibited 337.40 and 385.40 mV at the current density of 10 and 40 mA cm(-2), respectively, and the Tafel slope of porous Co3O4 through ZnO etching is 79.60 mV dec(-1). The results will provide a feasible route to optimize the oxygen evolution reaction performance of Co3O4 catalysts.
Metallic delafossite PdRhO2 thin films were synthesized using a low-rhodium solution deposition strategy, achieving epitaxial growth despite a significant lattice mismatch. Comparative structural and electrical transport analyses demonstrate that reducing the lattice mismatch significantly improves both film quality and electrical performance. First-principles calculations reveal that the metallic conductivity in PdRhO2 originates primarily from Pd-derived states and their hybridization with Rh 4d orbitals at the Fermi level. Furthermore, a PdRhO2/beta-Ga2O3 Schottky heterojunction was fabricated, exhibiting a rectification ratio on the order of similar to 10(9) and a Schottky barrier height of 1.13 +/- 0.06 eV. This barrier height exceeds the prediction of the Schottky-Mott rule, which is attributed to a naturally formed interfacial dipole layer. These findings offer a cost-effective pathway to epitaxial Rh-based thin films and highlight their potential for application in electronic integrated circuits.
Hard carbon anodes for sodium-ion batteries suffer from unstable solid-electrolyte interphase formation, leading to low initial Coulombic efficiency and poor cycle stability. Herein, we demonstrate a molecular-level surface design that actively orchestrates an anionic bottom-up flux from the electrolyte bulk to the hard carbon interface. By engineering a synergistic pair of pyridinic-N and carbonyl groups on the carbon surface, we create a functional-differentiation microenvironment where pyridinic-N selectively anchors PF6− anions, while the cooperative carbonyl repels solvent molecules. This dual functionality establishes a sustained concentration gradient that drives a continuous reverse flux of anions toward the interface, fundamentally redirecting the electrolyte decomposition pathway from solvent-dominated to anion-preferential. The tailored surface lowers the PF6− decomposition barrier by over 70
Owing to their unique crystal structures, van der Waals (vdW) materials provide a versatile platform for exploring emergent physical phenomena and enabling next-generation electronic and spintronic applications. However, the direct correlations between vdW crystal and intrinsic properties, such as magnetism, remain largely unexplored. Here, we demonstrate that a variety of structure-correlated topological spin textures, characterized by highly regular shapes ranging from triangles to octagons and arranged in periodic patterns, can be induced in vdW crystals. Owing to their well-resolved boundaries, the entire evolution of the quasiparticle characteristics of the topological structures, including creation, structural distortions, and collision were unambiguously revealed. More importantly, it was found that the topological annihilation occurs in an explosive manner, providing direct confirmation of the quasiparticle nature at the scale of a single magnetic unit. Simulations reveal that their formation arises from the interplay between uniaxial anisotropy and dipolar interactions, further modulated by the lattice background. These findings uncover a previously unrecognized structure-property relationship in vdW magnets and open avenues for designing and tunning of new topological spin textures.
Néel vector, the order parameter of collinear antiferromagnets, serves as a state variable in associated antiferromagnetic (AFM) spintronic devices to encode information. A deterministic switching of Néel vector is crucial for the write-in operation, which, however, remains a challenging problem in AFM spintronics. Here we demonstrate, based on analytical derivation and macro-spin simulations, that Néel vector switching can be generally achieved via a current-induced spin torque, provided the spin accumulations responsible for this torque are non-identical between opposite sublattices. This condition occurs widely in AFM films, as symmetry equivalence between sublattice-dependent spin accumulations is usually absent, allowing unequal spin accumulations induced by Edelstein effect or a spin current. Unlike previously studied spin torques induced by uniform or staggered spin accumulations-where either the field-like or damping-like component dominates exclusively-the asymmetric spin torque features cooperative contributions from both components, leading to Néel vector dynamics that are fundamentally distinct from previous expectations. Crucially, the static states stabilized by the asymmetric spin torque enable versatile Néel vector switching strategies-field-free spin-transfer torque switching during current application, as well as field-free or field-assisted spin-orbit torque switching after the current pulse-demonstrating that established spin torque techniques from ferromagnetic spintronics can be directly adapted to AFM systems, a capability absent in previous theoretical frameworks. Our Letter establishes a general mechanism for current-induced Néel vector switching, which is in principle feasible for all collinear antiferromagnets, and thus paves the route to realize efficient writing in AFM spintronics.
Zero-thermal-expansion (ZTE) materials are crucial to precision optics, cryogenics, and aerospace applications. By homogeneously filling metals with negative thermal expansion (NTE) particles, ZTE composites can be created. However, this uniform approach significantly diminishes the exceptional thermal and mechanical properties of the metals. Learning from the biological structures of abalone nacre and bamboo inner membranes, we developed a novel ZTE composite constructed by alternating copper foil layers and copper layers reinforced with NTE particles (ZSM/Cup). The copper foil layers act as pathways for heat transfer, achieving a high directional thermal conductivity of 200 Wm-1K-1 for a laminated composite with 100 mu m-thick copper foil layers (i.e., 100Cu-ZSM/Cup). Furthermore, the Cu layers help mitigate stress concentration and hinder crack propagation, effectively dissipating substantial fractural energy. The thermal conductivity and toughness of the 100CuZSM/Cup composite are tripled and fourfold, respectively, compared with those of its homogeneous counterpart. The thermal stress generated by the adjacent layers via the semi-coherent interface compensates for each layer's intrinsic expansion/shrinkage. This causes ZTE perpendicular to the lay-up direction, leading to an isotropic ZTE in the laminated composites. This work would expand the potential applications of ZTE materials, especially in challenging environments where thermal and mechanical shocks are prevalent.
We investigate a twisted bilayer of 1T-TaSe2 (twist angle [Formula: see text]) using scanning tunneling microscopy and spectroscopy, revealing that the coexisting twisted atomic lattice and charge density wave (CDW) superlattice generate a dual moiré structure with distinct electronic modulation effects: The topographic moiré pattern stems from atomic lattice twisting modulating CDW intensity, while the twisted CDW superlattice drives a continuous insulator-to-metal transition, as evidenced by electronic gap evolution from large to metallic states. Density functional theory calculations show this transition arises from twist-induced changes in star of David motif stacking. Using the moiré-period gap map as the interlayer potential [Formula: see text], we construct a continuum model via its Fourier components [Formula: see text], finding that [Formula: see text] mediates multiple interlayer scattering processes that produce numerous superposition states manifesting as split flat-band pairs with distinct energy gaps. This work elucidates a CDW-twist-based mechanism for electronic control in 1T-TaSe2 and provides insights into Mott physics and complex electronic phases in related materials.
The low-temperature density-wave state of La_3Ni_2O_7 hosts pronounced spin-density-wave (SDW) order, while recent experiments further reveal charge redistribution and a concomitant lattice-symmetry lowering. However, the microscopic relationship among spin, charge, and lattice remains unclear. Using first-principles calculations, we investigate the pressure evolution of the electronic structure and static spin susceptibility of La_3Ni_2O_7, together with the energetics and lattice response of representative magnetic configurations. We trace the SDW instability to strong Fermi-surface nesting and find that the high-pressure spin response closely tracks T_C, suggesting spin-fluctuation-mediated pairing. Among the candidate magnetic states considered, the spin-charge-stripe states emerge as energetically favored and dynamically stable, developing pronounced disproportionation of both the local Ni moments and the Ni–O bond lengths. Remarkably, the lowest-energy a-stripe state spontaneously relaxes into the experimentally proposed polar Am2m structure through a polar distortion along the b axis. These results establish a unified picture in which spin, charge, and lattice responses are strongly intertwined in the low-pressure density-wave state, while spin fluctuations remain a plausible ingredient of superconductivity under pressure.
Nonvolatile magnetotransport in a single magnetic material is usually tied to spin-orbit coupling and therefore rarely exhibits a large ON/OFF ratio. Here we show that this limitation can be overcome through magnetoelastic reconstruction of nonrelativistic real-space transport paths. Using the two-dimensional antiferromagnet FePS3 as a representative system, first-principles quantum transport calculations reveal that charge transport is strongly tied to quasi-one-dimensional zigzag sublattice chains and, under suitable doping, can even become confined to them. Strain lifts the degeneracy among symmetry-related zigzag variants and reorients these transport paths through magnetoelastic coupling. Consequently, both longitudinal and transverse conductivities change dramatically, yielding a giant magnetoelastic magnetoresistance up to 104% and an energy-independent Hall ratio far exceeding spontaneous Hall ratios in conventional magnets. These results establish a route to exploiting symmetry-related magnetic variants and their associated transport paths for high-performance spintronic devices with reconfigurable nonvolatile functionalities.
Solution-processed delafossite PdRhO 2 thin films exhibit self-optimizing acidic HER performance (from 45 mV to 24 mV at 10 mA cm −2 ) driven by operando surface reconstruction into highly active Pd–Rh metallic clusters.
Artificial hetero-phase superlattices constructed from transition metal dichalcogenides (TMDs) provide a powerful platform for exploring exotic physical phenomena and delivering structurally robust devices. However, achieving deterministic control over phase-stacking sequences in bulk architectures remains a significant challenge. Here, we report a self-adaptive superlattice system formed in TaS2 crystals through an in-situ structural phase transition. Coordinated inter-layer sliding and intra-layer S-plane sliding drive layer-resolved 1T-to-1H transformations. This two-dimensional transformation pathway enables deterministic and dynamic engineering of hetero-phase sequences within a three-dimensional (3D) crystal, with the resulting interfaces stabilized by persistent inter-phase coupling. Within these reconfigurable superlattices, we identify two distinct superconducting states arising from paired 1H/1T bilayers and sandwiched 1H/1T/1H' trilayers. The charge density wave order remaining in the 1T layer suppresses superconductivity in the 1H/1T superlattice. Our findings establish an in-situ, sequence-controllable phase engineering strategy for constructing bulk TMD hetero-phase homostructures and highlight stacking configuration as a powerful degree of freedom for designing TMD-based quantum materials and devices.
Barocaloric (BC) refrigeration technology is an environmentally friendly and energy-efficient alternative to conventional vapor compression technology. The miniaturization of the BC refrigeration system is significant for the potential applications, yet this issue has received little attention. Here, a reversible entropy change of up to 0.478 J cm-3 K-1 is reported in the superionic conductors Ag2Te1- xSx, achieved under a driving pressure of 70 MPa. This leads to an impressive BC strength of 6.82 mJ cm-3 K-1 MPa-1. Such outstanding volumetric BC performance surpasses that observed in inorganic materials and is comparable to that of typical organic colossal BC materials. The observed BC effect can be attributed to a pressure-induced phase transition from cubic to monoclinic, along with the suppression of silver ion diffusions. The simulation results demonstrate that a high energy density of BC material can significantly reduce the wall thickness, net weight, and overall size of the refrigerant container, facilitating the miniaturization of BC refrigeration systems. Additionally, the excellent plasticity of Ag2Te1- xSx compounds allows them to be easily molded into various shapes, which facilitates the improvement of heat exchange and energy efficiency performance in BC cooling systems. This research would encourage further exploration of high-density BC materials in the context of miniaturizing BC refrigeration systems.
Superconductor research has traditionally depended on experiments and theoretical approaches. However, the rapid advancement of data-driven methods and machine learning (ML) has opened avenues for accelerating superconductor discovery. Here, we integrate ML with density functional theory calculations to efficiently screen conventional B-C-N based superconductors and identify potential high-TC candidates among R3Ni2O7-type bilayer nickelates. We identify 13 binary and ternary B-C-N based superconductors with TC 10 K, including 3 with TC 25 K, two structural forms of B2CN (TC = 47.6 and 43.7 K) and TiNbN2 (TC = 25.3 K). These B-C-N based compounds share a common feature of strong sigma bonds, which is key to achieving relatively high TC. Moreover, we propose Tb3Ni2O7 (TC = 61.6 K) and Ac3Ni2O7 (TC = 70.3 K) as potential high-TC nickelate superconductors under high pressure. Their electronic structures closely resemble those of La3Ni2O7, especially in the hole-type band dominated by Ni 3dz2 orbital character. We also analyze feature importance in the ML results for both conventional and high-TC superconductors. These results advance the search for new superconductors and enhance the fundamental understanding of superconducting mechanisms.
Calcium bismuth niobate (CaBi2Nb2O9, CBNO) exhibits a high Curie temperature and high resistivity, making it one of the most promising candidates for high-temperature piezoelectric applications. However, improving its piezoelectric performance is still a major challenge. Conventional strategies often fail to achieve a piezoelectric coefficient exceeding 25 pC/N. Here, we introduce a high-entropy strategy into CaBi2Nb2O9, designing a series of A-site configurationally disordered ABi2Nb2O9 ceramics. The high-entropy effect increases lattice distortion and decreases domain size, which significantly affects the resistivity, piezoelectric, and ferroelectric properties of the samples. Among these samples, the(Ca1/7Ba1/7Sr1/7Na2/7Bi1/7Nd1/7)Bi2Nb2O9 (CBSNBN) sample exhibits relaxor ferroelectric behavior, whereas other samples are conventional ferroelectrics. This phenomenon is related to the stability of dipoles in the materials. Ultimately, CBSNBN achieves the optimal comprehensive performance: a piezoelectric coefficient d33 = 25.9 pC/N, coercive field EC = 48.9 kV/cm, and remanent polarization Pr = 4 mu C/cm2. This work provides new insights into the development of CBNO-based high-temperature piezoelectric ceramics with excellent properties.
Bismuth-based pyrochlore phases, as linear dielectrics, offer a compelling combination of ultralow loss, moderate permittivity, and high breakdown strength, rendering them promising for dielectric energy storage applications. However, the advancement of related research is impeded by the inherent thermodynamic instability in the Bi2O3-TiO2 phase diagram, which makes the synthesis of phase-pure Bi2Ti2O7 particularly challenging. In this work, we demonstrate that the stability of Bi2Ti2O7-based phase is significantly enhanced through careful control of the thermal processing temperature. The resulting materials, therefore, show ultralow dielectric loss and reduced polarization switching hysteresis as well as improved breakdown field. Consequently, a high energy density of 65.5 J/cm(3) and an excellent energy efficiency of 84.3% are achieved concurrently. The findings reported herein help to elucidate the relationship between pyrochlore structure stabilization and thermal treat process, thereby providing an effective way for improving the energy storage performance of Bi2Ti2O7-based thin films.