Nuclearity of Copper Clusters on hBN/SiC Heterostructure Modulates Molecular AdsorptionDefect engineering can transform inert two-dimensional (2D) materials into chemically active and electronically tunable platforms by creating anchoring sites for metal atoms and clusters.…Reza Khakpour, Arsalan Hashemi, Xiaoya Chang et al.·Aug 26, 2026SaveLearn
Magnetic-configuration design for reliable Heisenberg exchange parametersThe determination of magnetic exchange interactions is essential for the quantitative description and predictive modeling of magnetic materials. In this work, we present a neighbor-shell-based…Ben Li, Stephan von Malottki, Gian-Marco Rignanese·Aug 26, 2026SaveLearn
Substitution effects in RuO2 single crystalsRuO2 has emerged as one of the leading candidates for investigating altermagnetism. Recent quantum oscillation and angle-resolved photoemission spectroscopy measurements found the absence of…Shubhankar Paul, Kunihiko Yamauchi, Shogo Yamashita et al.·Aug 26, 2026SaveLearn
Optical and magneto-optical interactions in Co-doped CeO2 thin films prepared by pulsed laser depositionMagnetically doped CeO2 is a dilute magnetic semiconductor, promising for various applications in photonics, but the origin of its ferromagnetic properties is not fully understood. Here, thin…Martin Zahradník, Miroslav Kučera, Roman Antoš et al.·Aug 26, 2026SaveLearn
A Hierarchical Synergistic Deep Learning Framework Integrating Composition, Structure, and Ionic Transport for Solid-State Electrolyte DiscoveryInorganic solid-state electrolytes must combine high room-temperature ionic conductivity, a wide electrochemical window, excellent electronic insulation, and favorable mechanical compliance. Single…Hongwei Du, Dingyang Lv, Baole Wei et al.·Aug 26, 2026SaveLearn
Exchange splitting as a descriptor for giant anomalous Hall and Nernst effects in ferromagnetsThe anomalous Hall effect (AHE) and anomalous Nernst effect (ANE), which describe transverse electrical and thermoelectric responses in magnetic materials, respectively, are promising for spintronic…Ivan Kurniawan, Guangzong Xing, Yoshio Miura et al.·Aug 26, 2026SaveLearn
Direct current thermo-mechanical testing: Principles, uncertainty hierarchy, and its role in advanced materials characterisationDirect current thermo-mechanical testing (DC-TMT), based on resistive Joule heating, enables rapid heating and cooling, steep thermal gradients and simultaneous mechanical loading, making it a…Abdalrhaman Koko, Sodiq Abiodun Kareem, Olajesu Favor Olanrewaju et al.·Aug 26, 2026SaveLearn
Parity-controlled electron-hole interference in exciton-phonon couplingWe demonstrate that exciton-phonon coupling in polar semiconductors is governed by a parity-controlled interference selection rule. By performing an exact multipole expansion of the excitonic form…Michael O. Atambo·Aug 26, 2026SaveLearn
Interpretable physics-informed retrieval-augmented generation language model for end-to-end inorganic crystal synthesis planningSynthesis planning for inorganic materials requires predicting both synthesizability and viable routes by linking microscopic thermodynamic stability with macroscopic synthesis methods, precursors,…Wei-Jian Jiang, Ye-Nan Sha, Hui Guo et al.·Aug 26, 2026SaveLearn
Realization of Air-Stable Two-Dimensional Superconductor Nb2Pd3Te5 With Quasi-One-Dimensional Pair Density ModulationTwo-dimensional (2D) superconductors provide a fertile platform for exploring reduced-dimensional superconductivity and emergent quantum phenomena. Incorporating quasi-one-dimensional (quasi-1D)…Jiayi Wang, Hui Guo, Hao Zhang et al.·Aug 26, 2026SaveLearn
Beyond linear stability: Heterogeneity-induced fingering of crack frontsWe investigate the stability of elastic interfaces beyond the linear regime by considering penny-shaped crack fronts propagating through toughness heterogeneities. Using fracture mechanics…Manish Vasoya, Laurent Ponson, Veronique Lazarus·Aug 26, 2026SaveLearn
High-throughput Discovery of Magnetic Rare Earth Transition Metal AlloysWe present an accelerated materials discovery framework that combines diffusion-based crystal structure generation with hierarchical screening to identify new rare-earth--transition-metal magnets…Shuo Tao, Osman Goni Ridwan, Liqin Ke et al.·Aug 26, 2026SaveLearn
Origin of High-Temperature Antiferromagnetic Order in a van der Waals MaterialWhile Van der Waals (vdW) itinerant antiferromagnets with high Neel temperatures (TN) are highly desirable for spintronics, they remain relatively scarce. Here, we unravel the physical origin of the…Rabindra Basnet, Hari Paudyal, Gicela Saucedo Salas et al.·Aug 25, 2026SaveLearn
Tuning Dirac-Rashba and Double Dirac Cone Surface States of Topological Crystalline Insulator Pb1-xSnxSe by Transition Metal AdsorbateThe electronic structure of topological insulator/magnetic metal (TI/MM) interfaces is of great importance for understanding of exotic spin-dependent phenomena and realization of advanced…Bartłomiej Turowski, Wojciech Brzezicki, Ondřej Caha et al.·Aug 25, 2026SaveLearn
Intercalation of Alkali Metal into WTe2, the Crystal Structure of A0.5WTe2 and Observation of a Metal-to-Semiconductor TransitionWe explore the cationic intercalation of tungsten ditelluride (WTe2) with potassium (K), rubidium (Rb), and cesium (Cs), yielding intercalation compounds of the form A0.5WTe2 (A = K, Rb, Cs).…Patrick Schmidt, Fabian Strauß, Marcus Scheele et al.·Aug 25, 2026SaveLearn
Predicting THz Generation Capability of Organic Crystals through Data Mining and Crystal Nonlinearity ModelsWe report the use of DFT computation and mathematical models to predict the nonlinear dielectric polarization (PNL) and nonlinear susceptibility coefficients (χ(2)IJK) of organic materials…Sin Hang Ho, Ashton Roma, Connor Barlow et al.·Aug 25, 2026SaveLearn
AlV2O4 thin films via in-situ interfacial topotaxyConventional oxide epitaxy approaches face challenges when the oxidation conditions of constituent elements differ significantly. Here we demonstrate that V--O thin films can serve as solid-phase…Jeong Rae Kim, Alexis Ashby, Sandra Glotzer et al.·Aug 25, 2026SaveLearn
Multiscale Modelling of Ferroelectrics using a Physics-Informed Neural Network Driven by Molecular Dynamics Data: Parameter Identification and Field ReconstructionIn multiscale modeling of ferroelectrics, combining atomistic simulation with continuum-scale phase-field models (PFM) remains a fundamental challenge. A key difficulty lies in faithfully capturing…Xuejian Wang, Frank Wendler, Hikaru Auzuma et al.·Aug 25, 2026SaveLearn
Thermal diffuse scattering in TEM: complex absorptive potentials compared to the frozen phonon modelIn transmission electron microscopy, electrons undergo inelastic scattering primarily through phonon excitations, known as thermal diffuse scattering. To capture the inelastic scattering effects on…Martin Hájek, Ján Rusz·Aug 25, 2026SaveLearn
Interface-Controlled Defect Engineering in TiN/TaN Superlattices for Enhanced Hardness and Fracture ToughnessTiNTaN superlattice coatings were designed to investigate how atomic-scale interface chemistry and defect-stabilized TaN layers govern hardness and fracture toughness. Guided by first-principles…Zecui Gaoa, Qimin Wang, Julian Buchinger et al.·Aug 25, 2026SaveLearn
Structure-Agnostic Prediction of the Electronic Density of States with a Chemical Language ModelThe electronic density of states (DOS) is conventionally computed from a relaxed crystal structure, which is unavailable for compounds that have been neither synthesized nor cataloged. Here we…Ivan D. Rubtsov, Ivan V. Dudakov, Vadim V. Korolev·Aug 25, 2026SaveLearn
Plastic Relaxation without Dislocations in β-Ga2O3 Heteroepitaxy: A Structural Peculiarity of Ga2O3 Polymorphsβ-Ga2O3 grows as three-dimensional islands on mismatched c-plane sapphire, often on a thin α-Ga2O3 wetting layer, and eventually forms a continuous film by island coalescence.…I. Bertoni, A. Marzegalli, A. Ugolotti et al.·Aug 25, 2026SaveLearn
A colossal dielectric response of Bi1-xSmxFeO3 nanopowdersThe dielectric permittivity of the pressed powder samples of Bi1-xSmxFeO3, with Sm content "x" varying in the range 0 - 0.2, has been investigated in the temperature range from 20 to 400 C…Vladyslav O. Kolupaiev, Olexander S. Pylypchuk, Vladimir N. Poroshin et al.·Aug 25, 2026SaveLearn
A hidden low-temperature transformation pathway in compositionally complex materialsMost compositionally complex materials (CCMs, frequently referred to as high entropy alloys) are metastable and their attractive properties often belong to kinetically trapped states. However,…Yujiao Li, Elaheh Akbarnejad, Quentin Bizot et al.·Aug 25, 2026SaveLearn
Off-stoichiometric variable doping for exceptional power factors in L21 Fe2VAlMx (M=Ti, W) epitaxial thin filmsWe show that the addition of Ti or W to stoichiometric L21 Fe2VAl thin films by sputter codeposition produces off stoichiometric thin film alloys with superior thermoelectric properties than…Jose María Domínguez-Vázquez, Miguel Angel Tenaguillo, Ketan Lohani et al.·Aug 25, 2026SaveLearn