Multicomponent Grain Boundary Segregation Dilute-Limit Model and Its Effect on Nanocrystalline StabilityGrain boundary segregation of solutes is a powerful tool for stabilizing nanocrystalline materials. However, previous studies developed an approach to calculate stabilization only in binary systems.…Georgiy Marchiy, Feodor Kuznetsov, Dmitry Samsonov et al.·Jun 23, 2026SaveLearn
Breaking Bottlenecks in Solid Electrolyte Discovery with Large Artificial Intelligence ModelsSolid electrolytes (SEs) are central to next-generation metal batteries, yet their discovery remains constrained by fragmented data, limited transferability of simulations, and slow experimental…Eric Jianfeng Cheng, Min Hong, Zhiquan Zeng et al.·Jun 23, 2026SaveLearn
Dimensional Confinement Driven Scattering Inversion in NaCrTe2Dimensionality reduction provides a powerful route to tune the electronic and magnetic properties of van der Waals materials, yet its influence on electronic transport remains complex due to…Himanshu Sharma, Bhawna Sahni, Tanusri Saha-Dasgupta et al.·Jun 23, 2026SaveLearn
Quintic-Anharmonicity-Assisted Three-Phonon Scattering: A Previously Overlooked Same-Order Channel to Four-Phonon ScatteringFour-phonon scattering is widely regarded as the leading higher-order anharmonic correction to conventional three-phonon description of anharmonic scattering and lattice thermal transport. Here we…Yi Xia·Jun 23, 2026SaveLearn
Proximity-Induced Spin Reorientation in Monolayer CrI3 on Hexagonal WTe2Magnetic anisotropy controls the orientation and thermal stability of two-dimensional magnetic order. Predicting proximity-induced changes in anisotropy requires linking the electronic structure to…Dániel Tibor Pozsár, Marcell Balázs Sípos, Amador García-Fuente et al.·Jun 23, 2026SaveLearn
One-dimensional self-organization of water molecules in proton conducting Andersson-Wadsley titanatesLayered alkali titanates with M 2 Ti 2 O 5 chemical formula (MTO, M=K,Rb) belonging to the Andersson-Wadsley perovskite family spontaneously incorporate water to form MTO.(H 2 O) x compounds, which…Mathilde Arnaud, Guillaume Benas, Narimane Meziani et al.·Jun 23, 2026SaveLearn
Nonradiative Multiphonon Model of Deep-Level Transient Spectroscopy: Beyond Henry-Lang ModelDeep-level transient spectroscopy (DLTS) is a key experimental method for defect characterization, yet its analysis remains controversial, and the two widely used models developed by Henry and Lang…Menglin Huang, Shanshan Wang, Junjie Zhou et al.·Jun 23, 2026SaveLearn
Low-temperature magnetic-field-driven thermal oscillator based on metal-superconductor jointThermal control is one of the important technologies for fundamental science and thermal management. Among them, thermal oscillators have been in demands in the field of materials science and device…Poonam Rani, Yoshikazu Mizuguchi·Jun 23, 2026SaveLearn
Reversible non-equilibrium phase transformation in amorphous germaniumFirst principles molecular dynamics simulations of germanium reveal a reversible liquid-glass transition below the equilibrium melting point with a wide hysteresis loop. Direct calculation of the…Yang Huang, Marek Mihalkovič, Michael Widom·Jun 23, 2026SaveLearn
INCARBench: A Benchmark for Scientific Configuration in VASP INCAR by Large Language ModelsLarge language models (LLMs) are increasingly being integrated into first-principles computational workflows, yet their ability to configure scientific calculations remains poorly understood. Here,…Bin Shao, Jixiang Li, Xinyue Zhang et al.·Jun 23, 2026SaveLearn
Direct large-area observation of subsurface plastic activity in conditioned copper electrodesHigh-field conditioning is the process by which radio-frequency structures in particle accelerators and other high-gradient devices reach their operating fields, yet the underlying physical mechanism…Yinon Ashkenazy, Inna Popov, Victoria M. Bjelland et al.·Jun 23, 2026SaveLearn
A Geometric Design Principle for Z2 Topological Phases in Twisted Triangular-Lattice BilayersTwisted van der Waals bilayers provide a versatile platform for moiré electronic states, yet a transferable symmetry-based principle for time-reversal-invariant Z2 moiré bands has…Jiaheng Li, Jiaxuan Liu, Yan Zhang et al.·Jun 23, 2026SaveLearn
Deciphering borophene growth pathways with data-driven simulationsDeterministic synthesis of borophene remains challenging because many polymorphs compete during nucleation and growth. Here we combine a reactive machine-learned interatomic potential with…Colin Bousige, Jean Furstoss, Julien Lam et al.·Jun 23, 2026SaveLearn
Rapid estimation of synthesizability windows of inorganic materials from first principlesFast prediction of the synthesizability conditions of materials remains challenging, even assuming synthesis under thermodynamic equilibrium. We combine density functional theory (DFT) with…Finja Tadge, Javier Sanz Rodrigo, Andrea Crovetto·Jun 23, 2026SaveLearn
Characterizing Dislocation Substructures in Creep-Deformed Olivine Using Electron Channeling Contrast ImagingOlivine is the dominant mineral in Earth's upper mantle and therefore controls mantle rheology and the mechanics of plate tectonics. The constitutive laws for dislocation-mediated deformation of…M. Haroon Qaiser, Jessica White, David Wallis et al.·Jun 23, 2026SaveLearn
Enhanced Tantalum Superconducting Resonator Performance via All-Surface Organic Monolayer PassivationTantalum is a promising platform for superconducting quantum circuits, yet coherence times remain limited by dielectric losses from interfacial two-level systems (TLS), exacerbated by native oxide…Harsh Gupta, Moritz Singer, Benedikt Schoof et al.·Jun 23, 2026SaveLearn
Single-crystal growth and magnetic, magnetoelectric, and optical properties of ferroaxial-type SrMn2Ni6Te3O18Single crystals of SrMn2Ni6Te3O18, a member of the ferroaxial-type magnetic oxide family AB2C6Te3O18 (A = Pb, Sr; B = Mn, Cd; C = Ni, Co), have been successfully…Ryoya Nakamura, Shinichiro Asai, Yusuke Nambu et al.·Jun 23, 2026SaveLearn
First-principles identification of optically efficient erbium centers in GaAsGallium arsenide (GaAs) doped with erbium (Er), a material of interest for optoelectronics and quantum information, has been studied for decades. Yet the formation of Er luminescence centers in the…Khang Hoang·Jun 23, 2026SaveLearn
Precise Determination of the Long-Time Asymptotics of the Diffusion Spreadability of Two-Phase MediaThe time-dependent diffusion spreadability S(t) is a powerful dynamical probe of the microstructure of two-phase heterogeneous media across length scales [Torquato, S., Phys. Rev.…Shaobing Yuan, Salvatore Torquato·Jun 23, 2026SaveLearn
Emergent altermagnetism at surfaces of antiferromagnets: full symmetry classification and material identificationWe demonstrate the emergence of altermagnetism at the surfaces of antiferromagnets, vastly expanding the number of material candidates with altermagnetic characteristics and establishing a route…Colin Lange, Rodrigo Jaeschke-Ubiergo, Atasi Chakraborty et al.·Jun 23, 2026SaveLearn
Active Learning Guided Computational Discovery of 2D Materials with Large Spin Hall ConductivityTwo-dimensional (2D) materials are promising candidates for next-generation spintronic devices due to their tunable properties and potential for efficient spin-charge interconversion. However,…Abhijeet J. Kale, Sanjeev S. Navaratna, Pratik Sahu et al.·Jun 23, 2026SaveLearn
Subsurface Vacancy Engineering Enables Atomically Clean and Oxidation-Resistant Copper Interfaces for Anode-Free Lithium Metal BatteriesInterfaces govern reaction pathways and stability in electrochemical systems, yet creating clean, well-defined metal interfaces at scale remains challenging. In anode-free lithium metal batteries…Yue Li, Xuanguang Ren, Xueting Feng et al.·Jun 23, 2026SaveLearn
Circular dichroism in the photoelectron angular distribution of achiral moleculesCircular dichroism in the angular distribution (CDAD) is the effect that the angular intensity distribution of photoemitted electrons depends on the handedness of the incident circularly polarized…Christian S. Kern, Xiaosheng Yang, Giovanni Zamborlini et al.·Jun 23, 2026SaveLearn
Influence of chemical ordering on magnetocrystalline anisotropy and magnetoelastic properties in Weyl magnetic semimetal Co2MnGa thin filmsThe magnetic anisotropy and magnetoelastic properties of the magnetic Weyl semimetal Co2MnGa were investigated in the Co2MnGa thin films with different chemical orderings. Their properties change, in…O. Chumak, A. Nabiałek, L. T. Baczewski et al.·Jun 23, 2026SaveLearn
Nonrelativistic Spin-Orbit-Coupling Effects in Odd-Parity Coplanar MagnetsSpin-orbit coupling (SOC) is a relativistic effect that underpins a broad spectrum of phenomena in condensed matter physics, from topological phases of matter to spintronic functionality. Its…Dongling Liu, Zheng-Yang Zhuang, Di Zhu et al.·Jun 22, 2026SaveLearn