Identifying Oriented Spin Space Groups and Related Physical Properties Using an Online Platform FINDSPINGROUPUnconventional magnets that combine antiferromagnetic structures with ferromagnetic-like responses are essential for the development of next-generation spintronics. Their emergent properties are…Yutong Yu, Xiaobing Chen, Yanzhou Zhu et al.·Apr 23, 2026SaveLearn
Navigating Order-(Dis)Order Family Trees via Group-Subgroup TransitionsAs closed-loop materials discovery systems scale to produce millions of candidate compounds, the credibility of the novelty they reward becomes a critical concern. Novelty is commonly assessed…Shuya Yamazaki, Yuyao Huang, Martin Hoffmann Petersen et al.·Apr 23, 2026SaveLearn
Room-temperature third-order nonlinear anomalous Hall effect in ferromagnetic metal Fe3GaTe2Berry curvature, as the imaginary component of quantum geometry, plays a crucial role in condensed matter physics. The spatial distribution of Berry curvature can be characterized by its dipole and…Zheng Dai, Shuai Zhang, Jiajun Li et al.·Apr 23, 2026SaveLearn
Electrically switchable vacancy state revealed by in-operando positron experimentsWhether the flash state in electrically driven solids involves non-equilibrium defect production or is accounted for by Joule heating alone has been debated since 2010. Using positron annihilation…Ric Fulop, Laurence Lyons, Robert Nick et al.·Apr 23, 2026SaveLearn
Velocity-field characteristics and device performance in nanoscale amorphous oxide Thin-Film-TransistorsThe electron velocity-electric field characteristics in short channel length (50-100 nm) amorphous oxide field-effect transistors (FETs) are described using measured experimental data from indium…Chankeun Yoon, Xiao Wang, Jatin Vikram Singh et al.·Apr 23, 2026SaveLearn
Neutron and X-ray Diffraction Reveal the Limits of Long-Range Machine Learning Potentials for Medium-Range Order in Silica GlassGlassy silica is a foundational material in optics and electronics, yet accurately predicting its medium-range order (MRO) remains a major challenge for machine-learning interatomic potentials…Sai Harshit Balantrapu, Atul C. Thakur, Chris Benmore et al.·Apr 23, 2026SaveLearn
Beyond Diamond: Interpretable Machine Learning Reveals Design Principles for Quantum Defect Host MaterialsSolid-state spin defects in wide-bandgap semiconductors are leading candidates for quantum information processing, but systematic identification of suitable host materials remains limited by the cost…Mohammed Mahshook, Rudra Banerjee·Apr 23, 2026SaveLearn
Second-order topology in two-dimensional azulenoid kekulene carbon latticesThe discovery of higher-order topological insulator (HOTI) has established a new paradigm for understanding symmetry-constrained boundary electronic states. Here, based on first-principles…Xiaorong Zou, Hyeon Suk Shin, Chang-Jong Kang et al.·Apr 22, 2026SaveLearn
Generative Discovery of Magnetic Insulators under Competing Physical ConstraintsDiscovering materials that must simultaneously satisfy multiple competing constraints remains a central challenge in computational materials design, particularly in data-scarce regimes where…Qiulin Zeng, Tahiya Chowdhury, Md Shafayat Hossain·Apr 22, 2026SaveLearn
Accelerating point defect simulations using data-driven and machine learning approachesPoint defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models…Arun Mannodi-Kanakkithodi, Menglin Huang, Prashun Gorai et al.·Apr 22, 2026SaveLearn
Expanding the extreme-k dielectric materials space through physics-validated generative reasoningThe most technologically consequential materials are often the rarest: they occupy narrow regions of chemical space, obey competing physical constraints, and appear only sparsely in existing…Hossain Hridoy, Tahiya Chowdhury, Md Shafayat Hossain·Apr 22, 2026SaveLearn
Evolution of the Saddle Point in Antimony Telluride Homologous SuperlatticesCombining topological insulators with topological semimetals in the form of homologous superlattices is a promising approach for generating correlated quantum matter based upon Fermi level alignment…Yi-Hsin Shen, Shane Smolenski, Ming Wen et al.·Apr 22, 2026SaveLearn
Anisotropic multiband magnetotransport in LaAg2Ge2 thin filmsThCr2Si2-type intermetallics are layered conductors in which crystallographic anisotropy and multiband electronic states often give rise to characteristic magnetotransport phenomena. Here, we…Mizuki Ohno, Reiley Dorrian, Veronica Show et al.·Apr 22, 2026SaveLearn
Engineering Wake-Up-Free Ferroelectric Capacitors with Enhanced High-Temperature ReliabilityWe systematically explore the design space of ferroelectric hafnium-zirconium oxide (H0.5Z0.5O or HZO) heterostructures for reliable high temperature operation. HZO films are deposited using thermal…Nashrah Afroze, Salma Soliman, Yu-Hsin Kuo et al.·Apr 22, 2026SaveLearn
Strain effects in [001] textured Co80Ir20 thin films with negative magnetocrystalline anisotropyCo80Ir20 ferromagnetic thin films have recently been the focus of intensive research because the negative magnetocrystalline anisotropy adds to the shape anisotropy and favors a strong alignment of…L. Aviles Felix, M. Vasquez Mansilla, J. E. Gomez et al.·Apr 22, 2026SaveLearn
Polaron transport and Verwey transition in magnetiteThe enigmatic puzzle of the Verwey transition in magnetite Fe3O4 has been unresolved for almost a century. We present an ab initio-based model of the polaron transport combining kinetic Monte…Nikita Fominykh, Vladimir Stegailov·Apr 22, 2026SaveLearn
Load-dependent Hardness Prediction for Materials using Machine LearningSuperhard materials are critical for wear-resistant and high-stress applications. Conventional approaches correlating hardness with elastic moduli derived from DFT calculations enable rapid screening…Madhubanti Mukherjee, Rampi Ramprasad, Harikrishna Sahu·Apr 22, 2026SaveLearn
Bulk and surface electronic structure of MoAlB(010)The bulk and surface electronic structure of MoAlB(010) is studied by a combination of angle-resolved photoemission spectroscopy and density functional calculations. The observed bulk Fermi-level…Gianmarco Gatti, Amalie H. Svaneborg, Wu Bing et al.·Apr 22, 2026SaveLearn
Accurate and Efficient Interatomic Potentials for Dislocations in InPWe present Atomic Cluster Expansion (ACE) and MACE models trained on a new dataset of Density Functional Theory (DFT) calculations, constructed for the task of studying the mobility of dislocations…Thomas Rocke, Thomas Hudson, Richard Beanland et al.·Apr 22, 2026SaveLearn
Including nanoparticle shape into macrospin modelsWe investigate the feasibility of the macrospin approximation to account for the actual shape of soft magnetic nanoparticles (MNPs) with realistic geometries. Specifically focusing on magnetite, we…Iago López-Vázquez, Òscar Iglesias, David Serantes·Apr 22, 2026SaveLearn
Phonon driven non-equilibrium triggers for thermal runaway in battery electrodesThermal runaway in lithium-ion batteries is governed by the poorly-understood initiation phase, where localised heating introduces instability. Here we identify the three key components that trigger…Harry Mclean, Francis Huw Davies, Ned Thaddeus Taylor et al.·Apr 22, 2026SaveLearn
Fluctuation-driven multi-step charge density wave transition in monolayer TiSe2The exact microscopic origin, symmetry, and thermal melting mechanism of the charge density wave (CDW) phase in TiSe2 remain a subject of intense debate, particularly regarding the presence of…Luka Benić, Dino Novko, Ivor Lončarić·Apr 22, 2026SaveLearn
Multilayer Laue Lenses for Enhanced Spatial Resolution in Dark-Field X-ray MicroscopyWe introduce the use of a crossed pair of Multilayer Laue Lenses (MLLs) as an objective in Dark-Field X-ray Microscopy (DFXM). In a demonstration experiment at the ID03 beamline at ESRF, two flat…Steffen Staeck, Can Yildirim, Raquel Rodriguez-Lamas et al.·Apr 22, 2026SaveLearn
LLM-guided phase diagram construction through high-throughput experimentationConstructing phase diagrams for multicomponent alloys requires extensive experimental measurements and is a time-consuming task. Here we investigate whether large language models (LLMs) can guide…Ryo Tamura, Haruhiko Morito, Yuna Oikawa et al.·Apr 22, 2026SaveLearn
Domain-Wall-Mediated Ultralow-Barrier Sliding and Pinning in Ferroelectric Moiré Superlattices Revealed by Machine LearningSliding ferroelectrics built from stacked nonpolar monolayers enable out-of-plane polarization and unconventional switching via interlayer sliding, yet the microscopic sliding dynamics remain…Jia-Wen Li, Sheng Meng, Xinghua Shi et al.·Apr 22, 2026SaveLearn