Machine Learning Framework for Magnetic Candidate Discovery in Cerium-Based CompoundsCerium (Ce), the most abundant lanthanide, offers significant potential for addressing shortages in high-performance magnetic materials, particularly through the discovery of compounds suitable for…Joshua A. Torres, Yaser M. Banad, Benjamin O. Tayo et al.·Aug 8, 2026SaveLearn
Multimodal deep learning framework to predict strain localization of Mg/LPSO two-phase alloysThis study proposes a method for predicting three-dimensional (3D) local strain distribution under compressive deformation of as-cast Mg/LPSO two-phase alloys from 3D microstructure images. The 3D…Daiki Kuriki, Fabien Briffod, Takayuki Shiraiwa et al.·Aug 8, 2026SaveLearn
Local coordination and migration-network topology shape Li-ion transport and delithiation in the low-energy -LiMnO2 polymorphIn rocksalt-derived oxide cathodes, the local Li-migration environment around an O4 tetrahedral intermediate is commonly classified by the number of face-sharing transition-metal (TM) neighbors.…Fukuan Wang, Busheng Wang, Yong Liu·Aug 8, 2026SaveLearn
Predicting large-supercell defect formation energies from machine-learning charge density models trained on small supercellsFirst-principles defect calculations are often limited by the cost of the large supercells required to suppress image interactions. Machine-learning interatomic potentials (MLIPs) provide another…Junjie Zhou, Menglin Huang, Shiyou Chen·Aug 8, 2026SaveLearn
Gate-tunable electronic properties of epitaxial Bi (111) films using a printable hexagonal boron nitride ionogelAchieving effective electrostatic control of carrier transport in semimetals remains challenging due to strong screening and multiband effects. We report efficient low voltage top gated control of…Jagannath Jena, Heather E. Kurtz, Siddhesh Ambhire et al.·Aug 8, 2026SaveLearn
Metastability limit of pristine 2D noble metals with high-energy facet: dominance of the Bell-Evans-Polanyi principleUsing density functional theory, we predict that ultrathin (110) sheets of Rh, Pd, Ag, and Ir tend to transform into their (100) counterparts via lattice contraction. An approximately linear…Xiaoliang Zhong·Aug 8, 2026SaveLearn
Spin selective non-van der Waal electride nature in manganese under ambient pressureElectrides are an unusual class of ionic materials in which electrons localized in non-nuclear, interstitial regions act as anions within the crystal lattice. Here, we employ first-principles quantum…Shishir Timilsena, Dinesh Thapa, David James Faller et al.·Aug 8, 2026SaveLearn
Sn-Doping in LPCVD-Grown (010) β-Ga2O3 FilmsIn this work, Sn-doped (010) β-Ga2O3 homoepitaxial films were grown by low-pressure chemical vapor deposition (LPCVD), and the influence of Sn incorporation on their structural,…Saleh Ahmed Khan, Ahmed Ibreljic, Sourav Sarker et al.·Aug 7, 2026SaveLearn
Understanding the Oxygen Reduction Reaction and Oxygen Evolution Reaction in Metal Intercalated Biphenylene BilayersWe conducted an ab initio study of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in metal-encapsulated biphenylene bilayers, B/M/B, with M = Ti, V, Cr, Mn, Fe, Co, Ni,…Henri G. Mendonça, Pedro H. Souza, Walter Orellana et al.·Aug 7, 2026SaveLearn
Defect-Controlled Multiferroicity via Stacking Control in Nonmagnetic van der Waals BilayersWe present a general paradigm that directly couples vacancy-localized magnetism to interfacial sliding ferroelectricity in nonmagnetic van der Waals (vdWs) bilayers. Utilizing bilayer hexagonal boron…Bumseop Kim, Sayed Ali Akbar Ghorashi, Andrew M. Rappe·Aug 7, 2026SaveLearn
Permutation invariant neural network prediction of vacancy formation under deformation and varying chemical environment in FCC high entropy alloysVacancy formation energies govern diffusion, irradiation damage, phase stability, and dynamic failure in high-entropy alloys (HEAs), yet their strong dependence on local chemical environments and…Tanvir Sohail, Swarnava Ghosh·Aug 7, 2026SaveLearn
DynaCrys: Crystal Generation with Dynamic Space-Group DiffusionThe search for new crystalline materials spans an enormous compositional and structural space. Generating candidates in this space requires jointly modeling discrete crystallographic symmetry,…Zhuotao Jin, Xiaoyun Wang, Nicholas Brawand et al.·Aug 7, 2026SaveLearn
Surface Equilibration Mechanism Controls the Stability of a Model Co-deposited Glass Mixture of Organic SemiconductorsWhile previous work has identified the conditions for preparing ultrastable single-component organic glasses by physical vapor deposition (PVD), little is known about the stability of co-deposited…Shinian Cheng, Yejung Lee, Junguang Yu et al.·Aug 7, 2026SaveLearn
Fractional Spin Ferroelectric and Sliding Spin Current in Magnetic Sliding FerroelectricsWe investigate the fractional spin ferroelectric (FSFE) in magnetic sliding ferroelectrics (SFEs), where ferroelectric switching is characterized not only by the reversal of the out-of-plane electric…Yilin Han, Lei Li, Chaoxi Cui et al.·Aug 7, 2026SaveLearn
Homojunction-induced thermopower enhancement in polymer filmsIt has been more than twenty years since conductive polymers began to receive attention as an emerging thermoelectric material. However, the trade-off between electrical conductivity (σ) and…Zhen Xu, Hui Li, Guangzheng Zuo et al.·Aug 7, 2026SaveLearn
Morphology Engineering of Mixed Ionic Electronic Conductors through Aqueous Phase SeparationThe performance of organic electrochemical transistors (OECTs) is fundamentally governed by the interplay between ionic accessibility and electronic transport within organic mixed ionic-electronic…Siqi Wang, Maria Restrepo, John Linkhorst et al.·Aug 7, 2026SaveLearn
Net and Hidden Spin-Valley Locking Enable Ultrahigh Hole Mobility in Covalent Bulk WN2High carrier mobility at room temperature underpins high-performance electronics, yet high hole mobility remains rare in bulk semiconductors. Spin-valley locking can suppress intervalley scattering…Rong-Tian Pang, Zhongjuan Han, Jiayi Gong et al.·Aug 7, 2026SaveLearn
Local lattice dynamics of hcp zinc from EXAFS and machine-learning interatomic potentialsThe lattice dynamics of hexagonal close-packed (hcp) zinc, a prototypical anisotropic metal, is studied using temperature-dependent Zn K-edge extended X-ray absorption fine structure (EXAFS)…Vitalijs Dimitrijevs, Pjotrs Žguns, Inga Pudza et al.·Aug 7, 2026SaveLearn
Spin-group theory on Edelstein effect and spin-orbit torque in Collinear FerromagnetsCurrent-induced spin-orbit torques (SOTs) are central to the electrical manipulation of magnetic order in spintronic devices. In transition-metal/collinear ferromagnet bilayers, field-like and…Yizhuo Song, Qing Zhang, Jiahao Shentu et al.·Aug 7, 2026SaveLearn
Fast Isotropic Li-Ion Diffusion in Zeolitic Imidazolate Framework Glass Electrolytes for BatteriesAll-solid-state lithium batteries require solid electrolytes that combine rapid room-temperature ion transport with mechanical robustness and interfacial compatibility. Zeolitic imidazolate framework…Yong Li, Tao Du, Timothée Jamin et al.·Aug 7, 2026SaveLearn
Local Structure Dictates Ionic Transport and Mechanical Properties in Glassy Solid Electrolytes for Lithium BatteriesElectrolytes composed of sulfide and halide glasses are promising candidates for all-solid-state lithium batteries owing to their processability, lack of grain boundaries, and relatively high ionic…Yong Li, Tao Du, Rasmus Christensen et al.·Aug 7, 2026SaveLearn
Autonomous Optimization of Complex Oxides for Thermochemical Fuel ProductionTwo-step thermochemical fuel production, including H2O and CO2 splitting, offers a promising route to sustainable fuel manufacturing, with performance governed by redox-active oxides that enable…Shuiping Gong, Mingcheng Li, Han Hao et al.·Aug 7, 2026SaveLearn
Symmetry Classification of Non-Relativistic Hidden Spin Polarization in Noncollinear MagnetsHidden spin polarization (HSP), in which spin-polarized states exist locally while the total spin polarization are hidden in momentum space, has been extensively studied in nonmagnetic and collinear…Yuzhong Hu, Pan Zhou, Baoru Pan et al.·Aug 7, 2026SaveLearn
Optical Anisotropy and Phase Matching in Non-Centrosymmetric Perovskite Oxides from DFT+U and DFT+U+V FunctionalsOptical anisotropy underpins the operation and performance of a broad range of photonic and quantum technologies. In this work, we critically examine the accuracy of density functional theory…Mohamed S. M. M. Ali, Ismaila Dabo·Aug 7, 2026SaveLearn
Giant-exchange-driven Vectorial Control of a Minimal Topological Magnet in Eu3In2As4The interplay between magnetism and band topology provides a route to controlling quantum states of matter, yet its realization in materials is often constrained by weak exchange coupling and complex…Haonan Chen, Xunkai Duan, Guangyi Wang et al.·Aug 7, 2026SaveLearn