Heterogeneous ferroelectricity and conductivity of oxidized BaTiO3 crystals: the role of nanoscale phase segregation in the surface regionWe investigate the effect of thermal oxidation on BaTiO3 single crystals. Our results reveal that, even at moderate temperatures of up to 1000 °C, complex segregation mechanisms occur involving…Christian Rodenbücher, Gustav Bihlmayer, Susan Trolier-McKinstry et al.·Aug 31, 2026SaveLearn
Chemically Resolved Topological Coordinates Link Structural Dynamics and Configurational ThermodynamicsAtomic coordinates specify a structure, but they do not reveal how chemical connectivity across several length scales relates to atomic motion and configurational energy ordering. We formulate…Ayush Kumar Pandey, Abhishek Tewari·Aug 31, 2026SaveLearn
Dark exciton signatures in the infrared transient absorption of MoS2 monolayerDark excitons play a central role in the nonequilibrium dynamics of two-dimensional semiconductors, but remain difficult to characterize. Transient-absorption experiments, with probes tuned in…Tian-Xiang Qian, Marco D'Alessandro, Claudio Attaccalite et al.·Aug 31, 2026SaveLearn
Coupling of two individual magnon resonators via a superconducting microwave resonator operating in the strong coupling regimeWe demonstrate coherent coupling of ferromagnetic resonance in two individual permalloy stripes via a superconducting coplanar waveguide resonator. The two stripes are placed on top of the resonator…Anoop Kamalasanan, Georg Schmidt, Seth W. Kurfman·Aug 31, 2026SaveLearn
Extending the Pnictide Chemical Space for PhotovoltaicsDeveloping novel and efficient materials that are beyond silicon for photovoltaic (PV) applications is required to meet the upcoming energy needs of our societies. To identify novel candidate…Avaneesh Balasubramanian, Gopalakrishnan Sai Gautam·Aug 31, 2026SaveLearn
Real-space overlap is not enough: ambiguity in nanobeam iterative ptychographyHigh-resolution iterative ptychography typically relies on a well-aligned, high-convergence-angle electron probe. Here we explore whether it can instead be performed at small convergence angles,…Stephanie M. Ribet, Mohsen Danaie, Willem P. M. de Kleijne et al.·Aug 31, 2026SaveLearn
Covariant formula for the driving force for interface migrationInterfaces of crystalline materials are strongly affected by the anisotropy of interface energy. A key quantity in this context is the interface stiffness tensor, which characterizes the response of…Adam Morawiec·Aug 31, 2026SaveLearn
Coexisting Large and Small Polarons in Photoexcited CeO2Time-resolved terahertz (THz) spectroscopy is used to probe polaron formation in CeO2. The ultrafast THz photoconductivity is dominated by contributions from large hole and small electron…Valentina Mazzotti, Eleonora Spurio, Nicolas Delnour et al.·Aug 31, 2026SaveLearn
Attosecond Reconstruction of Strain Tensors via Electronic FingerprintsWe demonstrate an attosecond transient absorption spectroscopy (ATAS) scheme for reconstructing strain tensors in two-dimensional materials. Using strained graphene as a prototype system, we show…Jing Li, Jiayu Yan, Guoyong Yuan et al.·Aug 31, 2026SaveLearn
Two-step transient liquid phase bonding of NiTi to Ti-6Al-4V through a NbZrW barrierDissimilar joining of NiTi to Ti-6Al-4V (Ti-64) is limited by brittle Ti2Ni formation and degradation of NiTi functionality. A two-step transient liquid phase (TLP) route was developed in which a…Zhaoxi Cao, Samuel Price, John P. Reidy et al.·Aug 31, 2026SaveLearn
AutoXRD: Autonomous LLM Agents and Comprehensive Evaluation for Powder Diffraction AnalysisPowder X-ray diffraction (XRD) is central to materials characterization, yet reliable end-to-end automation remains challenging. An XRD agent must interpret diffraction evidence, operate refinement…Yuetong Wu, Maojun Sun·Aug 30, 2026SaveLearn
Libron-phonon coupling and hydrogen-bond dynamics in the vacancy-ordered perovskite (NH4)2SnCl6: a temperature- and pressure-dependent Raman studyVacancy-ordered perovskites R2MX6 combine a rigid inorganic framework with a molecular A-site cation, but how the cation dynamics couples to the lattice phonons under external perturbation remains…Vasco S. Neto, Mayra A. P. Gómez, Bruno S. Araújo et al.·Aug 30, 2026SaveLearn
Van Hove singularities at the L-face of the lutetium nitride phonon dispersionWe report the structural and vibrational properties of the prototypical 4f-filled nonmagnetic member LuN of the lanthanide nitrides, LnN, with elastic and inelastic neutron scattering data…M. Markwitz, K. Kneisel, R. G. Buckley et al.·Aug 30, 2026SaveLearn
Cesium Clustering and Fluoroberyllate Network Disruption in FLiBe: A Total Scattering and Molecular Dynamics StudySeveral next-generation fission reactor designs employ molten salts such as FLiBe (2LiF-BeF2), with some concepts using fuel dissolved directly in the salt. During operation, fission products such…Sean Fayfar, Rajni Chahal, Danny Wang et al.·Aug 30, 2026SaveLearn
Floquet Topological Spin-Valley-Layertronics on a Layered Dice LatticeThe recent discovery of long-sought dice flat band in layered YCl electride has opened up rich possibilities of correlation and topological physics in dice lattice systems [Nature Communications 17,…Jianqi Zhong, Teng-Fei Ying, Jinyu Zou et al.·Aug 30, 2026SaveLearn
Valley-Enabled Intrinsic Dresselhaus Spin-Orbit Coupling in SiliconWe develop a symmetry-based theory of spin-orbit-valley coupling in silicon that reveals an intrinsic source of Dresselhaus spin-orbit coupling independent of interfaces or external electric fields.…Johannes L. P. Steinschuld, Hendrik J. Bluhm, Lars R. Schreiber et al.·Aug 30, 2026SaveLearn
Phonon-Localization-Driven Decoupling of Dual-Channel Transport for Record-Low Intrinsic Lattice Thermal ConductivityA fundamental bottleneck in pushing the intrinsic lattice thermal conductivity of inorganic crystalline solids to its lowest limit arises from the inherent competition between the particle-like…Zhunyun Tang, Xiaoxia Wang, Jin Li et al.·Aug 30, 2026SaveLearn
High-Field Terahertz Spin Resonance in Cr2O3 above the Spin-Flop TransitionWe report single-shot terahertz time-domain spectroscopy of Cr2O3 in pulsed magnetic fields up to 30 T. Well above the spin-flop field, in the 20-30 T range, the resonance frequency exhibits a…Kaiyang Huang, Yuto Kinoshita, Natsuki Kanda et al.·Aug 30, 2026SaveLearn
Evaluating a 4B open-weights local LLM for agentic DFT workflows: a literature reproducibility auditAgentic workflows in materials science relying on hosted commercial models face severe reproducibility, economic, and data-privacy constraints. To explore fully local agentic science, this work…Shambhu Bhandari Sharma·Aug 30, 2026SaveLearn
Solid and Quasi-Solid Electrolytes for Zinc Batteries: Balancing Water Activity, Ion Transport, and InterfacesZinc batteries offer a compelling route to safe and low-cost energy storage, yet their reliance on aqueous electrolytes promotes hydrogen evolution, corrosion, cathode dissolution, and non-uniform…Souvik Naskar, Jiaqian Qin, Eric Jianfeng Cheng·Aug 30, 2026SaveLearn
Vibrational Origin of the Barocaloric Effect in the Spin-Crossover Complex Fe(pap-5NO2)2: A Combined DFT and Mean-Field StudyDespite the barocaloric performance recently reported for the spin-crossover complex Fe(pap-5NO2)2, the microscopic origin of its pressure-induced entropy change remains poorly understood. In…Alan de Souza, Antonio M. dos Santos, Yongqiang Cheng et al.·Aug 29, 2026SaveLearn
PINN-Phase: A physics-informed neural network for curvature-driven multiphase-field evolutionPhase-field simulation of polycrystalline microstructures becomes costly when many related cases must be evolved over long times. We introduce PINN-Phase, a physics-informed neural time integrator…Seifallah Elfetni, Peter H. Seeberger, Theodore Tyrikos-Ergas·Aug 29, 2026SaveLearn
Elastic properties of amorphous LiTaCl6 solid-state electrolyteAmorphous solid-state electrolytes are attractive candidates for safe, high-energy-density all-solid-state batteries, yet their mechanical properties remain poorly understood from a computational…Xiaolin Liu, De-en Jiang·Aug 29, 2026SaveLearn
Strain-Driven Electronic and Catalytic Modulation of g-C3N4/GeS van der Waals heterostructure for Photocatalytic Water SplittingPhotocatalytic water splitting offers a viable pathway for sustainable hydrogen production. In this study, first-principles density functional theory calculations were performed to explore the…Soumendra Kumar Das, Smruti Ranjan Parida, Tapas Kumbhakar et al.·Aug 29, 2026SaveLearn
Analogue Phase Change Computational Memory with High Precision Reads and Energy Efficient WritesResistive memory technologies offer a compelling advantage for in-memory computing. However, realizing a device architecture that simultaneously achieves high computational precision, efficiency, and…Ghazi Sarwat Syed, Loris Coccia, Vara Prasad Jonnalagadda et al.·Aug 29, 2026SaveLearn