Oxygen-Pressure-Limited Recovery of the Hematite α-Fe2O3(0001) Surface from a Reduced Fe3O4(111)-Like LayerThe oxidation kinetics of hematite α-Fe2O3(0001) surfaces are vital for its applications in catalysis, environmental remediation, and industrial processes. Despite prior studies, the roles of…Nishant Kumar, Matthias Blatnik, Jan Čechal·May 20, 2026SaveLearn
Observation of spin-free interatomic orbital angular momentum in a chiral crystalThe inherent spin-orbit interaction of electrons inevitably couples spin to the orbital angular momentum (OAM), posing a fundamental challenge to spin-free orbital transport. Here, we propose a novel…Dongjin Oh, Sungsoo Hahn, Chiara Pacella et al.·May 20, 2026SaveLearn
Efficient purely organic phosphorescent emitters for programmable luminescent tags: from building blocks to donor-acceptor-donor structuresPurely organic room-temperature phosphorescence (RTP) emitters are key components of programmable luminescent tags (PLTs), photonic devices for rewritable information storage and UV dosimetry. In…Uliana Tsiko, Sebastian Kaiser, Jannis Fidelius et al.·May 20, 2026SaveLearn
Attached Split Ring Resonator Cavity for Magnon Photon CouplingWe present a chip scale planar cavity platform based on an attached split ring resonator (ASRR) integrated with yttrium iron garnet (YIG) structures to achieve strong magnon photon coupling in a…Aram Akoi, Liubov Ivzhenko, Maciej Krawczyk·May 20, 2026SaveLearn
Multiferroic Properties of Electrospun CFO-BCTSn Nanocomposites for Magnetoelectric and Magnetic Field Sensing ApplicationsMultiferroic CFO-BCTSn composite nanofibers were synthesized using a sol-gel electrospinning method. Electron microscopy revealed well-defined fibers with diameters of 120-150 nm. Structural analyses…Youness Hadouch, Nayad Abdallah, Daoud Mezzane et al.·May 20, 2026SaveLearn
In-Plane Ferromagnetism and Critical Dynamics in Alkali-Deficient K1-xCrTe2 (with x ≈ 0.3) Single CrystalsLayered chromium tellurides are model systems for studying low-dimensional magnetism in van der Waals materials. We report the synthesis and characterization of K1-xCrTe2 single crystals ($x…Catherine Witteveen, Felix Eder, Sara A. López-Paz et al.·May 20, 2026SaveLearn
High-performance linear-scaling electronic structure method via chromatic superposition statesWe introduce a high-performance linear-scaling electronic structure method that employs chromatic superposition states (CSS) as a low-dimensional, high-fidelity representation, which can be orders of…Zhikang Jiang, Zhizhi Xiao, Mingfa Tang et al.·May 20, 2026SaveLearn
Topological phononicsTopological phononics extends the foundational concepts of topological condensed matter physics to the realm of lattice vibrations and classical mechanical waves, unlocking robust, defect-immune…Zeguo Chen, Tiantian Zhang, Xulong Wang et al.·May 20, 2026SaveLearn
Transferable 3D Convolutional Neural Networks for Elastic Constants Prediction in Nanoporous MetalsThe topology of nanoporous metals is crucial for determining their mechanical response. In this work, we generated 6,000 gold and 422 silver nanoporous structures and calculated three components of…Sergei Zorkaltsev, Rafał Topolnicki, Tal-El Carmon et al.·May 20, 2026SaveLearn
Anisotropic Crystallization Kinetics and Interfacial Dynamics of Phase-Change Material Sb2S3 from Machine Learning Force Field SimulationsThe phase-change material antimony sulfide (Sb2S3) relies on rapid and reversible phase transitions between crystalline and amorphous states, which are critical for their performance in data…Souvik Chakraborty, Wen-Qing Li, Yun Liu·May 20, 2026SaveLearn
Generalized Phase Diagrams for Graphene CVD growth on CopperUnderstanding the competition between first-layer lateral expansion and second-layer nucleation is essential for layer-controlled graphene growth via chemical vapor deposition (CVD). Building on our…Tongtong Wang, Ke Jin, Yishi Zhang et al.·May 20, 2026SaveLearn
Tuning the low-energy band structure in twisted bilayer WSe2Tuning the electronic structures of two-dimensional (2D) material-based heterostructures is of crucial importance for their use in functional next-generation electronics. Here, through angle-resolved…T. -H. -Y. Vu, O. J. Clark, N. H. Jo et al.·May 20, 2026SaveLearn
Interacting donor-acceptor pairs as the origin of coupled spin-optical signals in hexagonal boron nitrideOptically addressable spin defects in hexagonal boron nitride hold promise for room-temperature quantum technologies, but their microscopic identities remain largely unknown. Using first principles…Guanjian Hu, Jijun Huang, Bing Huang et al.·May 20, 2026SaveLearn
The Dislocation Content of Triple JunctionsTriple junctions, line defects formed by the intersection of different grain boundaries, exist within all polycrystalline materials. While it has long been recognized that triple junctions could play…Ian S Winter, R. Daniel Moore, R. E. Rudd et al.·May 20, 2026SaveLearn
Building a physics-aware AI ecosystem for solid-state hydrogen storage materialsHydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evolution of hydrogen…Seong-Hoon Jang, Yiwen Yao, Chuanyu Liu et al.·May 20, 2026SaveLearn
The effects of dispersion damping and three-body interactions for accurate layered-material exfoliation energiesAccurate predictions of exfoliation energies and lattice constants of layered materials hinge on a correct description of London dispersion physics. Modern a posteriori dispersion corrections in…Adrian F. Rumson, Kyle R. Bryenton, Erin R. Johnson·May 20, 2026SaveLearn
Ferroelectric dynamic-field-driven nucleation and growth model for predictive materials-to-circuit co-designReal ferroelectric devices operate under mixed and distorted time-varying voltages, yet the standard nucleation-growth frameworks used to interpret ferroelectric switching - most notably the…Yi Liang, Soohyeon Kim, Tony Chiang et al.·May 20, 2026SaveLearn
A Neuroevolution Potential for Gallium Oxide: Accurate and Efficient Modeling of Polymorphism and Swift Heavy-Ion IrradiationGallium oxide (Ga2O3) is a wide-bandgap semiconductor with promising applications in high-power and high-frequency electronics. However, its complex polymorphic nature poses substantial challenges…Yaohui Gu, Binbo Li, Lingyang Jiang et al.·May 20, 2026SaveLearn
Gaunt and Breit Two-electron contributions to Mean-field Transformations and Fine Structure SplittingMaterials utilized by novel energy systems are often studied using weakly correlated mean-field theories. However, if these systems incorporate heavy elements, relativistic effects must be included.…Luca Murg, Christopher Lane, Roxanne M. Tutchton·May 20, 2026SaveLearn
Cosserat micropolar and couple-stress elasticity models of flexomagnetism at finite deformationsWe propose geometrically nonlinear (finite) continuum models of flexomagnetism based on the Cosserat micropolar and its descendent couple-stress theory. These models introduce the magneto-mechanical…Adam Sky, David Codony, Stephan Rudykh et al.·May 20, 2026SaveLearn
IRSSG: An Open-Source Software Package for Spin Space GroupsWe present an open-source software package IRSSG for investigating magnetic systems with spin space groups (SSGs). The package works within the density functional theory (DFT) framework and requires…Sheng Zhang, Ziyin Song, Zhong Fang et al.·May 20, 2026SaveLearn
Coherent terahertz control of metastable magnetization in FePS3The crystal lattice governs the emergent electronic, magnetic, and optical properties of quantum materials, making structural tuning through strain, pressure, or chemical substitution a key approach…Batyr Ilyas, Tianchuang Luo, Honglie Ning et al.·May 20, 2026SaveLearn
Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level AccuracyWe investigate Machine-Learned Force Fields (MLFFs) trained on approximate Density Functional Theory (DFT) and Coupled Cluster (CC) level potential energy surfaces for the carbon diamond and lithium…Sita Schönbauer, Johanna P. Carbone, Fredrik V. Eriksson et al.·May 20, 2026SaveLearn
Open Materials 2024 (OMat24) Inorganic Materials Dataset and ModelsThe ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has…Luis Barroso-Luque, Muhammed Shuaibi, Xiang Fu et al.·May 20, 2026SaveLearn
Evaluating Blended Refrigerants for Thermochemical Energy Storage and Circular Refrigerant Recovery using Activated CarbonsThe climate crisis demands a rapid shift to sustainable energy technologies and higher efficiency in existing energy systems. Adsorption-based thermochemical energy storage is a promising alternative…H. Lucassen, A. Luna-Triguero, J. M. Vicent-Luna·May 19, 2026SaveLearn