Revealing Short- and Long-range Li-ion diffusion in Li2MnO3 from finite-temperature dynamical mean field theoryLi2MnO3 is a key component of Li-excess layered cathodes of the form (1-x),LiMO2 + x,Li2MnO3 (M = Mn, Ni, Co, …), yet its role in setting Li-ion transport…Alex Taekyung Lee, Kristin A. Persson, Anh T. Ngo·May 27, 2026SaveLearn
Multimode magnon-phonon cavity driven by symmetry-locked strain fieldsHybrid magnon-phonon cavities with precise control knobs are highly sought after for coherent energy and signal transduction in solid-state platforms. While strain offers a powerful means to tune…Chunli Tang, Yujie Zhu, Dayne Sasaki et al.·May 27, 2026SaveLearn
Altermagnetic type-II Multiferroics with Néel-order-locked Electric PolarizationAltermagnetism, an emergent magnetic phase featuring compensated collinear magnetic moments and momentum-dependent spin splittings, has recently garnered widespread interest. A critical issue…Wen-Ti Guo, Junqi Xu, Yurong Yang et al.·May 27, 2026SaveLearn
Kink-Helium Interactions in Tungsten: Increased Dislocation Mobility in the Infinitely Dilute RegimePoint defects such as interstitial atoms are known to be attracted to screw dislocations. Understanding these interaction mechanisms is key to predicting the plasticity of real materials. Using a new…Matthew Nutter, James R. Kermode, Albert P. Bartók·May 27, 2026SaveLearn
Effect of the accuracy of interatomic force constants on the prediction of lattice thermal conductivitySolving Peierls-Boltzmann transport equation with interatomic force constants (IFCs) from first-principles calculations has been a widely used method for predicting lattice thermal conductivity of…Han Xie, Xiaokun Gu, Hua Bao·May 27, 2026SaveLearn
Relaxation-driven topological domains in moiré materialsSpatial control of topology is highly desirable for realizing tunable quantum functionalities in materials. Moiré superlattices formed by twisting van der Waals heterostructures provide a natural…Arjyama Bordoloi, Daniel Kaplan, Sobhit Singh·May 26, 2026SaveLearn
Microstructure-Aware Deep Learning Bridges Atomistics to Macroscale for Shock-to-Detonation PredictionThe shock-to-detonation transition in energetic materials is governed by coupled processes spanning Angstroms to millimeters and femtoseconds to microseconds, where traditional multiscale models fail…Simon Gonzalez-Zapata, Aidan Pantoya, Chunyu Li et al.·May 26, 2026SaveLearn
Atomically precise mechanosynthesis of carbon structures on hydrogenated Si(100) by inverted-mode STMThe ability to build atomically precise structures on surfaces with complete control over both atomic placement and chemical bonding remains a central challenge in nanoscale fabrication. Here, we…Megan Cowie, Chris Deimert, Ryan Groome et al.·May 26, 2026SaveLearn
At-Scale Data-Driven Exploration of High-Voltage Cathode-Active Materials for Sodium BatteriesSodium-ion batteries (SIBs) share similar electrochemistry with Li but offer several advantages, including high abundance in nature and low cost, as well as suitability for fast charging due to a…Suchona Akter, Mohammad R. Momeni·May 26, 2026SaveLearn
Light-induced Faraday effect from dynamical breakdown of Kleinman symmetryThe observation of anomalously large polarization rotations in pump-probe experiments with circularly polarized light has recently challenged the conventional understanding of the inverse Faraday…Niccolò Sellati, Jacopo Fiore, Lara Benfatto·May 26, 2026SaveLearn
Origin of the Temperature-Induced Gap Bowing of Formamidinium-Methylammonium Lead Iodide Perovskites: Role of Cationic RattlersA thorough understanding of the temperature dependence of semiconductor band gaps is essential for optimizing optoelectronic devices. In this respect, the origin of the pronounced temperature-induced…Kai Xu, Adrián Francisco-López, Bethan L. Charles et al.·May 26, 2026SaveLearn
Electron Polaron at Neutral 180 Domain Wall in PbTiO3: Stability, Trapping Energies, and Transverse PolarizationWe use density-functional theory with a Hubbard correction to investigate Ti-centered electron polarons at neutral PbO-centered 180 domain walls in tetragonal PbTiO3. The Hubbard…Mohammad Amirabbasi, Jochen Rohrer, Karsten Albe·May 26, 2026SaveLearn
Individual Characterization of Fast-Responding Trap States at the NO-Annealed SiO2/4H-SiC InterfaceFast-responding trap states introduced by NO-annealing are suspected to limit the channel mobility of 4H-SiC MOSFETs, yet their microscopic characterization remains challenging because conventional…Takahiro Ono, Mizuki Ohashi, Tomohiro Shigeno et al.·May 26, 2026SaveLearn
Temperature dependence of the magnon-phonon coupling in yttrium iron garnet/gadolinium gallium garnet high overtone bulk acoustic resonatorsWeexperimentally study the temperature dependence of the magnon-phonon coupling in a yttrium iron garnet (YIG)/gadolinium gallium garnet (GGG) heterostructure. More specifically, we use broadband…Johannes Weber, Manuel Müller, Mikhail Cherkasskii et al.·May 26, 2026SaveLearn
Active learning of collinear magnetic Moment Tensor Potentials using the spin-MLIP package from soft-constrained spin-polarized DFT calculations: a case study of Fe-PdExplicit incorporation of magnetic degrees of freedom in machine-learning interatomic potentials (magnetic MLIPs) plays a crucial role in the correct description of magnetic materials and their…Arseniy Burov, Alexey S. Kotykhov, Dmitry A. Aksyonov et al.·May 26, 2026SaveLearn
Ultrafast signatures of Dirac / flat-band hybrid states from time-resolved ARPESHybridization of highly itinerant Dirac electrons with localized flat-band states is predicted to yield emergent phenomena such as exotic heavy-fermion behaviour. Epitaxial graphene on…Maria-Elisabeth Federl, Johannes Gradl, Franziska Bergmeier et al.·May 26, 2026SaveLearn
Electronic properties governing the phase stability and elastic anisotropy of C14 and C15 Cr-Hf-Nb Laves phasesThis study utilizes Density Functional Theory (DFT) to investigate the thermodynamic stability, elastic anisotropy, and electronic properties of C14 and C15 Laves phases within the Cr--Hf--Nb system.…M. Díaz-Choque, C. F. Schuch, L. T. F. Eleno·May 26, 2026SaveLearn
Radiative electronic bound states in the continuum from defects in semiconductorsContinuum-buried defect states in semiconductors are generally expected to be optically inactive due to their strong coupling to continuum bands. Here, we show that such defects can instead host…Seong Yun Hong, Liang Z. Tan, Ki Hoon Lee et al.·May 26, 2026SaveLearn
Defect engineering of ultrathin gallium nitride via electric fields for advanced electronic, magnetic, and gas sensing applicationsScaling wide-band-gap semiconductors to the ultrathin limit offers a transformative pathway for power electronics, with gallium nitride (GaN) representing a cornerstone material in this class.…Yujia Tian, Devesh R. Kripalani, Ming Xue et al.·May 26, 2026SaveLearn
Tunable competing optical excitation pathways in the topological surface states of Bi2Te3Understanding coherent optical responses of topological surface states (TSSs) requires disentangling excitation pathways from the electronic band structure. Here, using angle-resolved two-photon…Shin Yokoyama, Takahito Takeda, Nagi Suzuki et al.·May 26, 2026SaveLearn
MatFormBench: A Benchmarking Evaluation Framework for Target-Driven Materials FormulationInverse design of materials has significantly advanced target-driven formulation optimization, yet existing materials machine learning benchmarks remain limited to forward property prediction,…Linhan Wu, Chenxi Wang, Chuhan Yang et al.·May 26, 2026SaveLearn
Visualizing Degradation in Anode-Free High-Utilization Aqueous Batteries Across Cell LifetimeOperando microscopy has unveiled key mechanistic insights in battery materials during early cycling, but long-term characterization to unveil material evolution, degradation, and failure remain…Sofia K. Catalina, Kyle Frohna, Willow Thompson et al.·May 26, 2026SaveLearn
Near-Infrared-Triggered Photodynamic Antibacterial Therapy Using Rose Bengal-Coated Upconverting NanoparticlesAntimicrobial photodynamic therapy (aPDT) is a promising modality for inactivation of antibiotic resistant bacteria, relying on the activation of a photosensitizer (PS) by light of a specific…Pratik Deshmukh, Nandini Ahuja, Bhumika Sharma et al.·May 26, 2026SaveLearn
Conditions for domain-free negative capacitanceWhile negative capacitance has been demonstrated in ferroelectric-dielectric heterostructures in the form of capacitance enhancement, all experimental evidence, to date, suggests the existence of…Prasanna Venkatesan Ravindran, Priyankka Gundlapudi Ravikumar, Asif Islam Khan·May 26, 2026SaveLearn
Modulation of charge density waves in a twisted vortex moire superlatticeTwisted moire superlattices in van-der-Waals heterostructures provide a powerful platform for engineering correlated states through moire-band reconstruction. However, whether globally coherent…Qian Fang, Yanhao Shi, Jingyi Duan et al.·May 26, 2026SaveLearn