Cage-enforced i-wave altermagnetism in boron-carbon clathratesThe spin splitting of an altermagnet arises from a rotation that relates its two magnetic sublattices. In known cases it is fixed by the crystal structure. Here we show that guest-host frameworks…Meiyan Wang, Li Zhu·Nov 2, 2026SaveLearn
Local and itinerant orbital contributions to the gyromagnetic response of paramagnetic metalsOrbitronics exploits orbital angular momentum to generate and manipulate angular-momentum currents for controlling magnetisation, offering new approaches to magnetic memory and logic. A quantitative…Garima Ahuja, Mirco Sastges, Dongwook Go et al.·Nov 2, 2026SaveLearn
Amplitude-conserving frequency demultiplexer based on a spin wave delay linePropagating spin waves have emerged as promising candidates for signal processing and information transmission. We present a theoretical investigation of the generation, propagation and collection of…Gaël Yann Thiancourt, Thibaut Devolder·Nov 2, 2026SaveLearn
Piezogyration and elastogyration in ternary chalcopyrites from first principlesNatural optical activity arises from the spatial dispersion of the optical response and is described by the rank-two gyration pseudotensor. Its dependence on mechanical stress and strain, quantified…Asier Zabalo, Fernando Gómez-Ortiz, Aldo H. Romero et al.·Nov 2, 2026SaveLearn
Pressure-correlation phase diagram unraveling quantum phase transitions in altermagnetic ε-FeOOH and realization of piezo-anomalous Hall effectWe establish a pressure-correlation phase diagram that yields multiple pressure-tunable quantum phase transitions in iron oxyhydroxide (ε-FeOOH) across three critical pressures,…Arijit Mandal, Nayana Devaraj, Birabar Ranjit Kumar Nanda·Nov 2, 2026SaveLearn
A Topology-Based Approach to Representative Volume Element Assessment in Solid Oxide Cell Anodes Using Large Volume Tomography and Persistent HomologyDetermining the representative volume element is essential for establishing statistically meaningful microstructure-property relationships. Conventional approaches rely on the convergence of selected…Aleksandra Kukiełka, Maksym Szemer, Szymon Buchaniec et al.·Nov 2, 2026SaveLearn
Characterisation of surface layers formed on plasma-facing components in controlled fusion devices: Role of heavy ion elastic recoil detectionWall components retrieved from the TEXTOR tokamak after tracer experiments with nitrogen-15 and molybdenum hexafluoride (MoF6) injection were studied to determine deposition patterns and, by this, to…Petter Ström, Per Petersson, Marek Rubel et al.·Nov 2, 2026SaveLearn
Ultrafast Polar Topology Reversal via THz-Driven Inertial SwitchingTopological polar structures in ferroelectric heterostructures offer functional states beyond ordinary domains. As polarization reversal underpins ferroelectric devices, switching between degenerate…Denan Li, Shi Liu·Nov 2, 2026SaveLearn
Anion Engineering Enables Concurrent Optimization of Phonon and Carrier Transport in AMg2X2 Zintl ThermoelectricsThe simultaneous suppression of lattice heat transport and enhancement of carrier transport is central to the development of high-performance thermoelectric materials. Here, we investigate the…Ning Wang, Jincheng Yue, Hui Zhang et al.·Nov 2, 2026SaveLearn
Molecular Curvature Enables Tubular π-Stacked Pathways in Three-Dimensional Conductive Metal-Organic FrameworksConductive metal-organic frameworks (MOFs) are commonly constructed from planar aromatic ligands, whose geometries favor conventional π-stacking arrangements. However, intrinsically twisted ligands…Weishan Li, Jia-Xiang Zhang, Tongyang Zhao et al.·Nov 2, 2026SaveLearn
Magnetic order in Co[Cr(CN)6]2/3· zH2O and its interplay with correlated vacancy orderPrussian blue analogues (PBAs) are versatile hybrid framework materials that often exhibit local and long-range departures from their cubic parent structure, influencing their functionality.…Rebecca E. Witte, Elodie A. Harbourne, John Cattermull et al.·Nov 2, 2026SaveLearn
High-Entropy A-Site Disorder Enhances Oxygen Evolution Reaction Activity and Stability in Nickelate Thin FilmsRare-earth nickelates are among the most active oxide electrocatalysts for the oxygen evolution reaction (OER), owing to their tunable Ni-O covalency, near-unity eg occupancy, and sensitivity to…Min-Ju Choi, Le Wang, Krishna Prasad Koirala et al.·Nov 2, 2026SaveLearn
Universal model of the growth of III-V tetrahedral semiconductors on polar surfaces: pyramids and glue atoms. VII. Step kineticsAb initio calculations were used to simulate the kinetics of attachment of new segments of the crystalline lattice (pyramids) at steps on the nonmetal-terminated surface of tetrahedral…Pawel Strak, Stanisław Krukowski·Nov 2, 2026SaveLearn
Universal model of the growth of III-V tetrahedral semiconductors on polar surfaces: pyramids and glue atoms. VI. Surface diffusion on a nonmetal-terminated surfaceAb initio calculations were used to simulate surface diffusion of adsorbates on the nonmetal-terminated surface of tetrahedral semiconductors: GaN, GaP, GaAs and GaSb. These surfaces are wurtzite…Pawel Strak, Stanisław Krukowski·Nov 2, 2026SaveLearn
Collective dipole effects amplify field-driven ion transport in amorphous Li3PO4Amorphous solid electrolytes often outperform their crystalline counterparts, but how disorder shapes ionic transport under strong electric fields is poorly understood. We use molecular dynamics with…Haruka Doyu, Anh Khoa Augustin Lu, Satoshi Watanabe·Nov 2, 2026SaveLearn
Nonadiabatic molecular dynamics simulation with external fieldNonadiabatic molecular dynamics simulations with classical path approximation (CPA-NAMD) cannot simulate the carrier dynamics under an external field. We develop CPA-NAMD-extF, a first-principles…Chengji Li, Fan Zheng·Nov 2, 2026SaveLearn
Data-driven candidate structure ensemble generation beyond the convex hull with crystALL approachReal materials consist of multiple stable or metastable states under real-world conditions, existing as statistical ergodic ensembles of configurations rather than ideal crystals. Yet, data-driven…Adam M. Krajewski, Ricardo Amaral, Jonathan W. Siegel et al.·Nov 2, 2026SaveLearn
Moiré reconstruction at a twisted SrTiO3 interfaceTwisted oxide double layers have emerged as a promising platform for exploring moiré physics, including polar topologies and emergent electronic phases. However, the intrinsic complexity of oxide…Pengcheng Fei, Meiyu Wang, Suzhen Liu et al.·Nov 2, 2026SaveLearn
Machine-Learned Interatomic Potential for the Mo-S-Al-O SystemWe develop a machine-learned neuroevolution potential (NEP) for the Mo-S-Al-O system, targeting MoS2 heteroepitaxy on c-plane sapphire, α-Al2O3(0001). The potential is trained on 63,611…Emir Bilgili, Nicholas Taormina, Simon R. Phillpot et al.·Nov 2, 2026SaveLearn
The effect of local stacking fault fluctuations on dislocation glide and the interplay with solid solution strengthening in Al-Mg alloysConcentrated alloys are characterized by a random arrangement of solute atoms of different sizes, which generates spatially fluctuating displacement and stress fields with non-trivial correlations.…Hyunsoo Lee, Xin Liu, Liam Myhill et al.·Nov 2, 2026SaveLearn
Fermi surface and field-induced Lifshitz transition in the antiferromagnet NbMnP exhibiting an anomalous Hall effectWe performed Shubnikov--de Haas (SdH) oscillation measurements on the Q=0 antiferromagnet NbMnP, which exhibits a large anomalous Hall effect. The SdH frequencies observed in the low-field…Taichi Terashima, Yuya Hattori, David Graf et al.·Nov 2, 2026SaveLearn
Defect Chemistry of Hafnia-Based Ferroelectrics under Oxide-Electrode ConstraintsHfO2 heterostructures with La0.67Sr0.33MnO3 (LSMO) epitaxial electrodes have attracted interest as ferroelectric systems with electrode-dependent defect chemistry. However, the…Sehyeok Jeon, Aloysius Soon, Yongjin Shin·Nov 2, 2026SaveLearn
Chirality-Induced Angular-Momentum Pumping by Moving ChargesChirality-induced spin selectivity is established even in light elements at room temperature; dissipation and electron correlations are implicated, here combined in one mechanism. Injected electron…Jun-ichiro Kishine, Ron Naaman·Nov 1, 2026SaveLearn
Band Alignment of Grafted versus Directly Bonded Si/Ge HeterostructuresThe electronic properties of semiconductor heterostructures are influenced by the local bonding and electrostatic environment at the heterointerface. Here, we investigate how the interface-formation…Pargam Vashishtha, Yang Liu, Tsung-Han Tsai et al.·Nov 1, 2026SaveLearn
Ferroelectric Switching in x-cut MgO-doped Thin-Film Lithium Niobate: Implications for Periodic Poling and Domain-Wall ElectronicsThin-film lithium niobate (TFLN) revives a mature ferroelectric as a wafer-scale platform for integrated photonics and, increasingly, for domain-wall electronics such as nonvolatile memories and…Niels Staal, Michael Rüsing, Tobias Babai-Hemati et al.·Nov 1, 2026SaveLearn