Ptychographic Algorithms for Phase Recovery in 4D Scanning Transmission Electron MicroscopyIn Momentum-resolved Scanning Transmission Electron Microscopy (4D STEM), a convergent electron beam is raster-scanned across a think specimen in 2D in real space. The corresponding 2D diffraction…Amel Shamseldeen Ali Alhassan·Jun 5, 2026SaveLearn
Chromium chalcohalide Janus monolayer ferromagnets with perpendicular magnetic anisotropy and high Curie temperatureUsing density functional theory, we revisit the magnetic properties of a recently proposed family of noncentrosymmetric two-dimensional magnetic materials, chromium chalcohalide monolayers, CrXY…M. Bosnar, J. M. Lendinez, A. Yu. Vyazovskaya et al.·Jun 5, 2026SaveLearn
Skyrmions in Synthetic Antiferromagnets: Collapse and NucleationMagnetic skyrmions in synthetic antiferromagnets are promising nanoscale bits, but their usefulness depends on how reliably a written pair survives and can be created. Using a reduced lattice model,…M. N. Potkina·Jun 5, 2026SaveLearn
Cocktail effect and robust Berry curvature driven anomalous Hall conductivity in the entropy-stabilized Heusler alloy Co2(Ti0.25V0.25Cr0.25Fe0.25)AlThe interplay between chemical disorder and persistence of Berry curvature driven transport phenomena remains an important open question in entropy-stabilized systems. Here, we synthesize an…Suraj Kushwaha, S. K. Panda, Sourav Marik et al.·Jun 5, 2026SaveLearn
Characterization of Nonlinear Dynamics in Semiconductors in Frequency Domain using Modulated PhotoexcitationCarrier dynamics in semiconductors is inherently complex owing to the coexistence of different excited species, such as free carriers and excitons, and their interactions among themselves and with…Attia Awan, Rong Tang, Zhou Kang et al.·Jun 5, 2026SaveLearn
Deep Learning-Accelerated Dynamic Kinetic Monte Carlo Simulation for Hydrogen Transport in TungstenIn magnetic confinement fusion reactors, hydrogen plasma irradiation causes material saturation and recycling, where hydrogen released from the tungsten wall significantly impacts the peripheral…Seiki Saito, Keisuke Takeuchi, Hiroaki Nakamura et al.·Jun 5, 2026SaveLearn
First-principles transition-state tensorial cluster expansion of vacancy diffusion in Ta-W beyond the kinetically-resolved activation approximationPredicting diffusion in chemically complex alloys remains challenging due to the strong dependence of migration barriers on local atomic environments. Migration barriers computed using density…Jacob Jeffries, Brianna Sebastian-Olazabal, Enrique Martinez·Jun 5, 2026SaveLearn
Valley-dependent electron-phonon scattering in thermoelectric semimetal Ta2PdSe6Quasi-one-dimensional transition-metal chalcogenide Ta2PdSe6 is a promising thermoelectric semimetal due to the strong electron-hole asymmetry in the carrier lifetime. However, the microscopic…Masayuki Ochi, Hitoshi Mori, Akitoshi Nakano·Jun 5, 2026SaveLearn
Impact of strain on electron-phonon coupling of quantum emittersDefects in semiconductors acting as optically active spin qubits are intriguing objects of fundamental study and future technological developments. These defect-based color centers are of particular…Vytautas Žalandauskas, Rokas Silkinis, Lukas Razinkovas et al.·Jun 5, 2026SaveLearn
Autonomous computational catalysis through an agentic research systemAutonomous agents are beginning to transform scientific research from tool-assisted workflows toward self-sustaining discovery processes. Computational catalysis provides a representative challenge,…Honghao Chen, Jiangjie Qiu, Yi Shen Tew et al.·Jun 5, 2026SaveLearn
Unusually high phonon thermal conductivity in the Weyl semimetal TaP: A comparative study with TaAsIn many metals, thermal transport is often dominated by electrons, although the lattice contribution can remain appreciable depending on the material. Here, through rigorous first-principles…Xianyong Ding, Xin Jin, Dengfeng Li et al.·Jun 5, 2026SaveLearn
Learning Thermoelectric Transport from Crystal Structures via Multiscale Graph Neural NetworkGraph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model…Yuxuan Zeng, Wei Cao, Yijing Zuo et al.·Jun 5, 2026SaveLearn
Strong coupling between coherent ferrons and cavity acoustic phononsCoherent ferrons, the quanta of polarization waves, can potentially be hybridized with many other quasiparticles for achieving novel control modalities in quantum communication, computing, and…Yujie Zhu, Jiaxuan Wu, Anna N. Morozovska et al.·Jun 5, 2026SaveLearn
Anharmonic Effects in Ge2Sb2Te5 and Consequences on Thermodynamic StabilityChalcogenides are an important class of phase change material (PCMs) due to their application in digital memory solutions. Owing to their ability to reversibly cycle between crystalline and amorphous…Owain T. Beynon, Adham Hashibon·Jun 5, 2026SaveLearn
Origin of Anomalous Size Effects in Ferroelectric Hafnia Thin FilmsThe persistence of ferroelectricity in ultrathin HfO2 films challenges conventional theories, particularly given the paradoxical observation that the out-of-plane lattice spacing increases as the…Tianyuan Zhu, Jingxuan Li, Zuhuang Chen et al.·Jun 5, 2026SaveLearn
Scaling Nanoribbon Transistors with Monolayer Transition Metal DichalcogenidesNanoscale transistors require aggressive reduction of all channel dimensions: length, width, and thickness. While monolayer two-dimensional semiconductors (2DS) offer ultimate thickness scaling, good…Tara Peña, Anton E. O. Persson, Andrey Krayev et al.·Jun 5, 2026SaveLearn
General Learning of the Electric Response of Inorganic MaterialsWe introduce MACE-Field, a field-aware, O(3)-equivariant interatomic potential that learns a single electric enthalpy functional F(\ R\, E) and obtains $…Bradley A. A. Martin, Alex M. Ganose, Venkat Kapil et al.·Jun 5, 2026SaveLearn
Accurate Machine Learning Interatomic Potentials for Polyacene Molecular Crystals: Application to Single Molecule Host-Guest SystemsEmerging machine learning interatomic potentials (MLIPs) offer a promising solution for large-scale accurate material simulations, but stringent tests related to the description of vibrational…Burak Gurlek, Shubham Sharma, Paolo Lazzaroni et al.·Jun 5, 2026SaveLearn
Atomic-scale phase-field modeling for 2D ferroelectrics including non-Gaussian fluctuationsAtomic-scale phase-field modeling extends the phase-field framework down to the level of individual atoms by treating the probability density of atomic vibrations as a field variable and constructing…Kairi Masuda, Yu Kumagai·Jun 4, 2026SaveLearn
Reactivity-Informed Machine Learning for Performance Prediction and Design Space Exploration of Alkali-Activated SlagEstablishing quantitative relationships among mix design, raw material properties, curing conditions, and performance remains a long-standing challenge in cementitious materials, particularly for…Qiyao He, Zhanzhao Li, Kai Gong·Jun 4, 2026SaveLearn
Engineering magnetic anisotropy and ferromagnetism in topological Kagome metal GdV6Sn6 via Nd substitutionKagome metals with the formula RM6X6 (R = rare-earth, M = 3d transition metal, and X = Sn/Ge) provide a rich platform for exploring magnetic and electronic phenomena, with tunable properties enabled…Santosh Karki Chhetri, M. M. Sharma, Jian Wang et al.·Jun 4, 2026SaveLearn
Symmetry-Protected Phonon Topology and Low Lattice Thermal Conductivity in Square-Octagonal ChalcogenidesUnconventional lattice geometries provide an effective platform for realizing symmetry-protected topological phonon states that can strongly influence lattice heat transport. In this work, we explore…Nair Surabhi Suresh, Mondal Chiranjith, Alam Aftab et al.·Jun 4, 2026SaveLearn
Matching Terahertz and Hall Mobilities as a Hallmark of Intrinsic Charge Transport in Metal-Halide PerovskitesCharge-carrier transport in soft-lattice materials, including metal-halide perovskites, is often perceived to be highly heterogeneous across different length scales, and influenced by both the…Dmitry R. Maslennikov, Ben P. Carwithen, Vladimir V. Bruevich et al.·Jun 4, 2026SaveLearn
Temperature-Induced Crossover of Coherent Phonon Mechanisms in Chiral 2D PerovskitesThe coupling between electronic excitations and lattice degrees of freedom fundamentally dictates the optoelectronic functionality of hybrid perovskites. While the potential energy surfaces (PESs) of…Katherine A Koch, Matthew P Hautzinger, Matthew C Beard et al.·Jun 4, 2026SaveLearn
Element-Specific Solute Trapping and Grain Structure Evolution during Laser Powder Bed Fusion of Multicomponent AlloysUnder the rapid solidification conditions of laser powder bed fusion (LPBF), solute trapping manifests in an element-specific manner, altering nonequilibrium partitioning, constitutional…Xinxin Yao, James Hanagan, Md Shafiqur Rahman Jame et al.·Jun 4, 2026SaveLearn