Symmetry-selective nonrelativistic spin splitting in antiferromagnets driven by coherent phononsNonrelativistic spin splitting (NRSS) in antiferromagnets (AFMs) enables magnetization-free spin polarization for ultrafast spintronics. Here, we demonstrate that coherent phonons can dynamically…Sangeeta Rajpurohit, Mohsen Yarmohammadi, Sheikh Rubaiat Ul Haque et al.·Sep 1, 2026SaveLearn
A Spatial Localizer for Constituent-Resolved Exciton Wannier FunctionsThe internal electron-hole structure of excitons influences optical and electric-field responses. Exciton Wannier functions have recently provided a local real-space representation of exciton bands.…Haylen Gerhard, Wladimir A. Benalcazar·Sep 1, 2026SaveLearn
No source-free exchange-correlation magnetic fields in non-collinear spin-density functional theoryThe source-free condition, ∇·Bxc=0, where Bxc is the exchange-correlation (xc) magnetic field in non-collinear spin-density functional theory, is widely believed…Ester Livshits, Roi Baer·Sep 1, 2026SaveLearn
First-principles optical response of shock-compressed LiF: Quasiparticle, excitonic, and ionic-temperature effectsWe investigate the refractive index n of LiF using DFT+G0W0+BSE, with ionic-temperature effects included through QMD. We calculate photon-energy dispersions n(ω) and k(ω) at ambient…M. S. Fadeev·Sep 1, 2026SaveLearn
A relational fabrication-to-modeling database for memristor devicesResistive random access memory (RRAM) devices, also known as memristors, are highly dependent on fabrication, location on the wafer, and measurement protocols. However, openly available large-scale…Lai Gan, Guoyang Huang, Deepika Yadav et al.·Sep 1, 2026SaveLearn
Accelerating dynamic simulations of photoexcited materials and their evolution by electron-informed machine learningNonadiabatic coupled electron-nuclear dynamics upon electronic excitation underpin the microscopic mechanism and rational modulation of diverse photoinduced functional phenomena in materials, yet…Yunzhe Jia, Fankai Xie, Yunfei Bai et al.·Sep 1, 2026SaveLearn
Polar nanoregions and reentrant-like ferroelectric behavior in SrTiO3Recent real-space imaging in quantum paraelectric SrTiO3 [Nature 656, 54 (2026)] reveals that local polar textures do not continuously grow upon cooling, but reach a maximum intensity at…Yuan-Jie Sun, Fei Yang, Long-Qing Chen·Sep 1, 2026SaveLearn
Simulating Continuous-Rotation 3D Electron Diffraction: A Multislice and Bloch Wave FrameworkTo improve the agreement between measured and calculated intensities of three-dimensional electron diffraction (3D ED) experiments, a simulation pipeline is needed to assess and quantify the…Małgorzata K. Cabaj, Jacob Madsen, Toma Susi et al.·Sep 1, 2026SaveLearn
Thickness-Dependent Orbital-to-Spin Torque Signatures in Cr/Gd/Co Thin FilmsWe studied orbital-torque generation in Cr(10nm)/Gd(tGd)/Co(3nm)/TaOx and the inverted stack Co(3nm)/Gd(tGd)/Cr(10nm) with tGd from 0 to 5\,nm…Tiago de Oliveira Schneider, Michel Heidkamp, Luana Caron et al.·Sep 1, 2026SaveLearn
Geometry-Controlled Magnetic and Electronic Landscapes in Anisotropic van der Waals MaterialsElectronic structure in van der Waals materials is commonly engineered through composition, strain, electrostatic gating and heterostructure assembly. Here we introduce geometronics, a concept in…Maciej Śmiertka, Ewelina Cybula, Oliwia Janikowska et al.·Sep 1, 2026SaveLearn
Autonomous discovery of new structure-plausibility laws for explainable and rapid crystal diagnosis and screeningCrystal generators and tool-using agents propose structures faster than density functional theory (DFT) energy and phonon calculations or experiments can assess them. Deciding which candidates merit…Zhilong Song, Lixue Cheng·Sep 1, 2026SaveLearn
Pressure-regulated mechanochemistry at lithium metal-sulfide electrolyte interfacesStack pressure is commonly treated as a means of maintaining physical contact in all-solid-state lithium-metal batteries, but it can also alter the chemistry of reactive solid-solid interfaces. Here,…Kunik Jang, Jaehwan Choi, Jang Wook Choi et al.·Sep 1, 2026SaveLearn
Trap Dynamics and Conductivity Changes in AlGaN/GaN Heterostructures Under Ultrasonic LoadingAlGaN/GaN heterostructures are critical for high-power electronic devices but suffer from electron trapping at defects, limiting reliability. We investigate how ultrasonic vibrations affect electron…Vladyslav Kaliuzhnyi, Mykola Tymochko, Oleksandr Gudymenko et al.·Sep 1, 2026SaveLearn
Text-guided flow matching enables sample-efficient crystal structure generationCrystal generators can now propose periodic structures, but their control interfaces remain poorly matched to the mixed descriptors used in materials design. Text provides a compact way to combine…Wentao Li·Sep 1, 2026SaveLearn
Exchange striction determines how fast antiferromagnetic insulators demagnetizeAntiferromagnets combine terahertz spin dynamics with insensitivity to stray fields, and how quickly their order can be manipulated sets the speed limit on device operation. Femtosecond optical…Aleksandr Buzdakov, Ravi Kaushik, Nikolai Khokhlov et al.·Sep 1, 2026SaveLearn
First-Principles Electronic Structure Calculation of Crystals in Laboratory Magnetic FieldsExternal magnetic fields can qualitatively reshape the electronic structure of crystals, underpinning quantum Hall physics, Landau-level spectra and field-induced topological phases. Their…Sichao Wang, Chengye Lü, Xingao Gong et al.·Sep 1, 2026SaveLearn
Numerical study of the grain-growth-induced non-parabolic kinetics of a solid-state reactionNon-parabolic growth of reaction layers is frequently observed in solid-state diffusion couples, but the relationship between microstructural evolution and the resulting kinetics remains incompletely…Ya. A. Nikiforov, S. A. Chizhik, N. I. Baklanova·Sep 1, 2026SaveLearn
Weisfeiler-Lehman subtree encoding for Bayesian optimization of atomic configurationsThe efficiency of Bayesian optimization (BO) of atomic configurations depends strongly on how configurations are encoded. We introduce the Weisfeiler-Lehman (WL) subtree kernel, which views…Akira Kusaba, Tatoshi Yonemori, Tetsuji Kuboyama et al.·Sep 1, 2026SaveLearn
Beyond Panchromatic Absorption: Deciphering the Excited-State Maze from Light Absorption to Photocatalysis in Dye-Sensitized MOFsMetal--organic frameworks (MOFs) are promising photocatalysts whose visible-light absorption can be extended through linker functionalization; however, a red-shifted absorption edge does not…Manuela L. Kim, Mauricio E. Calvo, Katsuya Teshima et al.·Sep 1, 2026SaveLearn
Element priors and target support shape chemical transfer in materials graph networksMaterials graph neural networks must often transfer to chemical regions weakly represented in training data. Such transfer can rely on predefined relations among elements or supervised evidence from…Ran Zhao, Kangming Li·Sep 1, 2026SaveLearn
Fourier Neural Operators for Composition-Driven Crystal Structure DiscoveryCrystalline materials discovery is essential for energy, electronics, and catalysis, but the vast chemical and structural space makes exhaustive screening infeasible. Existing voxel-based methods are…Zhijie Yu, Jingyu Li, Yang Huang et al.·Sep 1, 2026SaveLearn
Large Exchange Magnetostriction in a Kagome Antiferromagnet at Room TemperatureThe pursuit of high-performance magnetostrictive materials is crucial for advancing technologies in sensing, actuation, and microelectromechanical systems. Although pronounced magnetostrictive…Jie Du, Liang Yao, Hang Li et al.·Sep 1, 2026SaveLearn
Independent Tuning of Surface Acoustic-Waves and Spin-Waves via Buffer-Layer Engineering in Co2FeGe Heusler Thin FilmsUnderstanding and controlling acoustic and spin-wave excitations in magnetic thin films is critical for the development of magnonic and spin-acoustic devices. We report on the use of Cr and W buffer…A. V. Achuthan, A. Vovk, S. Bunyaev et al.·Sep 1, 2026SaveLearn
Metastable defects in III-NitridesMetastable states in III-nitrides (AlN, GaN, InN and their alloys) are an important topic across materials science, device physics, and epitaxial growth because these compounds exhibit multiple…A. E. Belyaev·Sep 1, 2026SaveLearn
Magnetic quantum defects in a uniaxial antiferromagnetic insulatorPoint defects have been successfully utilized in various quantum technologies, serving as quantum qubits for quantum computation, single-photon emitters for quantum communication, and nanoscale…Shangfei Wu, Laur Peedu, Zhihao Wang et al.·Sep 1, 2026SaveLearn