AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline MaterialsLarge language models (LLMs) have shown promising potential in scientific research, enabling tasks ranging from knowledge retrieval to property prediction. Existing science benchmarks mainly focus on…Taoyuze Lv, Alexander Chen, Fengyu Xie et al.·May 28, 2026SaveLearn
Field-Driven Hybrid Filament Formation Governs Switching in Ta-HfO2-Pt MemristorsMemristive devices have gained significant attention for their potential in next-generation non-volatile memory and neuromorphic computing architectures. Among emerging candidates, transition metal…Ashutosh Krishna Amaram, Aditya Koneru, Subramanian KRS Sankaranarayanan·May 27, 2026SaveLearn
Geometry-based Discovery of Calcium Battery Cathodes Accelerated by Foundational Machine-Learned ModelsCalcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization of CBs remains…Dereje Bekele Tekliye, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam·May 27, 2026SaveLearn
A GPU-based Solver for Polarization Dynamics in Ferroelectric MaterialsFerroelectric materials can be used for the development of multiple device concepts combining non-volatility, small dimensions, low-power actuation, and electrical tunability. Such development…Ali Hasan, Edoardo Piccolo, Anna Giordano et al.·May 27, 2026SaveLearn
Synthesis and properties of bulk Mg3WN4 in a wurtzite-derived structureExperimental synthesis of theoretically predicted materials with controlled elemental coordination environments can lead to realization of useful properties, such as facile ion transport or…Anna A. Berseneva, Christopher L. Rom, Layton Rudolph et al.·May 27, 2026SaveLearn
Universal Stability of Ga Split Vacancies across α-, β-, and κ-Ga2O3 Polymorphs: A Machine-Learning Accelerated StudySplit Ga vacancies are the dominant native acceptor in β-Ga2O3; however, their role in α and κ phases has been largely overlooked or assumed to be unfavorable. A detailed understanding of…Mohamed Abdelilah Fadla, Myrta Grüning, Lorenzo Stella·May 27, 2026SaveLearn
Ultrafast dynamics of excitons in black phosphorusExcitons are key quasiparticles determining the optical properties of solids. As such, they can be utilized to coherently control the electronic structure of materials using optical femtosecond…Geoffroy Kremer, Juan F. P. Mosquera, Joël Morf et al.·May 27, 2026SaveLearn
Electron-beam induced methane decomposition for in-situ carbon doping of hexagonal boron nitrideControlling the spatial incorporation of carbon into hexagonal boron nitride (hBN) is essential for engineering optically active defects, yet existing approaches lack nanoscale precision and control…Barbara Maria Mayer, Manuel Längle, Umair Javed et al.·May 27, 2026SaveLearn
Can MACE Potentials Accurately Describe Magnetism and Phase Stability in Fe-Ni Alloys? A Systematic BenchmarkWe present a systematic benchmark of MACE potentials for iron-nickel alloys, focusing on structural, elastic, magnetic, and finite-temperature properties relevant to phase stability. The reference…Kushal Ramakrishna, Mani Lokamani, Attila Cangi·May 27, 2026SaveLearn
Global magnetic phase diagram and multiple unconventional magnets in NiAs-type compoundsNiAs-type compounds such as CrSb and MnTe host g-wave altermagnet (AM) state. In order to search other possible unconventional magnets in this system, we present a global magnetic phase diagram…Shibo Shen, Yilin Wang·May 27, 2026SaveLearn
Engineering Molecular Rectification: Mechanisms, Modulation Strategies, and Device IntegrationMolecular rectifiers, as prototypical components of molecular electronics, present unique opportunities for pushing device miniaturization to its ultimate limits. Nevertheless, challenges including…Junnan Guo, Shufan Song, Wenhui Fang et al.·May 27, 2026SaveLearn
SC-1 Etching of Niobium and Titanium Nitride Thin FilmsDry etching techniques, ubiquitous in microelectronics fabrication, often result in challenging levels of undesired collateral plasma-induced damage. In this work, we demonstrate a wet etching…Adrián Gutiérrez-Cruz, K. A. C. Rathnathilaka, Jani M. Taskinen et al.·May 27, 2026SaveLearn
Energy and Scaling Limits of Phase-Change MemoryPhase change memory (PCM) relies on a reversible transition between amorphous and crystalline states of a material, and stands as a promising candidate for next-generation, energy-efficient data…Rivka-Galya Nir-Harwood, Asir I. Khan, Emanuel Ber et al.·May 27, 2026SaveLearn
Nonlinear Elasticity at the Damage Threshold of Semiconductor NanocrystalsThe nonlinear photoacoustic response of indium phosphide nanocrystals on silicon nanotip arrays is investigated using time-resolved optical pump-probe spectroscopy and synchrotron-based X-ray…Daniel Hensel, Adriana Rodrigues, Anagha Kamath et al.·May 27, 2026SaveLearn
Search for high-pressure phases of yttrium via a data assimilation approachWe investigate the distorted face-centered-cubic (dfcc) phase of yttrium (Y) using a data-assimilation-based structure search that combines high-resolution powder x-ray diffraction (XRD) data with…Yuuki Kubo, Takahiro Ishikawa, Yuta Tanaka et al.·May 27, 2026SaveLearn
Analytical solution of the Langmuir model for moisture diffusion in cylindrical coordinatesMoisture diffusion in polymers and bio-based materials frequently exhibits non-Fickian behavior that cannot be described by classical diffusion models. The Langmuir model, which accounts for the…Corentin Guigot, Romain Grangeat, Gilles-Alexis Renaut·May 27, 2026SaveLearn
Effect of Vacancies on Hydrogen Mobility and Trapping in Elemental Fe and Cr: A DFT and kMC StudyHydrogen-vacancy interactions play an important role in governing hydrogen transport and embrittlement in body-centered cubic (BCC) metals. In this study, a multiscale approach combining density…Vallinathan K, Gurpreet Kaur, Sharat Chandra·May 27, 2026SaveLearn
Machine-learning-accelerated discovery of synthesizable high-temperature altermagnets with giant spin splittingAltermagnets offer a route to spin-polarized electronic states without macroscopic magnetization, because compensated magnetic order can generate momentum-dependent spin splitting through…Yi-Fei Jiang, Jia-Xuan Guo, Zhen Zhang et al.·May 27, 2026SaveLearn
Magneto-Optical Detection of Anisotropic Spin Currents in Altermagnetic RuO2Altermagnets are a recently identified class of collinear antiferromagnets that host large spin-split electronic bands, offering a promising platform for efficient spin-current generation. Among…Joongwon Lee, Jeonglyul Kim, Sreejith Nair et al.·May 27, 2026SaveLearn
Molecular Dynamics Study of Defect Evolution Mechanisms in 3C-SiC for Quantum TechnologiesThe migration of point defects and formation of spin defects in 3C-SiC were investigated using molecular dynamics simulations, with migration barriers obtained from Nudged Elastic Band (NEB)…Irslan Ullah Ashraf, Gaetano Calogero, Ioannis Deretzis et al.·May 27, 2026SaveLearn
Charge Symmetry Beyond Space-Group EquivalenceCrystallographic space-group symmetry G lat, determined by atomic species and their spatial arrangement, is one of the most important descriptors in solid-state physics, underlying the…Qiu-Shi Huang, Xin-Gao Gong, Su-Huai Wei·May 27, 2026SaveLearn
GPU acceleration of plane-wave density functional theory calculations in AbinitWe report on the GPU port of the Abinit high-performance simulation code for plane-wave DFT calculations. Large-scale electronic structure calculations require computing the electronic wave function…Ioanna-Maria Lygatsika, Marc Sarraute, Lucas Baguet et al.·May 27, 2026SaveLearn
Anomalous Crystallinity and Magnetism in Chemically Disordered Coherent HeterostructuresHigh-entropy oxide (HEO) thin films uniquely superimpose exceptional chemical disorder with exceptional crystalline quality and coherence - an intersection we term anomalous crystallinity that arises…Saeed S. I. Almishal, Sai Venkata Gayathri Ayyagari, Aaron Pearre et al.·May 27, 2026SaveLearn
Harnessing magnetic anisotropy for nonlinear magnetization precession and spin wavesThe nonlinearity of magnetization precession and spin waves is a cornerstone of contemporary magnonics. We investigate nonlinear magnetization dynamics in a thin epitaxial iron film driven by…P. I. Gerevenkov, L. A. Shelukhin, Ia. A. Filatov et al.·May 27, 2026SaveLearn
Free-electron decoherence: Theory and applicationsElectron microscopy relies on the spatial coherence of electron beams to generate atomic-scale images using interference and diffraction, which can be degraded by inelastic scattering processes that…Cruz I. Velasco, Valerio Di Giulio, F. Javier García de Abajo·May 27, 2026SaveLearn