Preserved metallicity and tunable magnetism in Zr-based Janus MXenesJanus MXenes provide a chemically asymmetric platform to tailor the properties of two-dimensional transition metal carbides. Here, we present a systematic first-principles study of the structural,…S. Özcan, B. Biel·Aug 10, 2026SaveLearn
A spin-bond theory unifying non-relativistic spin splitting and emergent spin-orbit texturesMagnetic order with vanishing net magnetization can produce non-relativistic spin-split bands, broadly categorized into even-parity altermagnets and odd-parity \(p\)-wave magnets. Here, we introduce…S. Allende, R. M. Otxoa·Aug 10, 2026SaveLearn
Time-resolved study of carbonization and growth of ultrathin 3C-SiC on Si(111) under ultra-high vacuumThe early-stage formation of silicon carbide (SiC) on Si(111) by ethylene exposure under ultra-high vacuum (UHV) was investigated to resolve the time-dependent chemical and morphological evolution of…Pranjali Jadhao, Mojdeh Fallahpour, Josef Polčák et al.·Aug 10, 2026SaveLearn
Magnetotransport evolution and nonlinear Hall effect in altermagnetic MnTeHexagonal MnTe is a prototypical semiconducting altermagnet whose properties are heavily influenced by intrinsic disorder, yet how the resulting diverse transport regimes shape its magnetotransport…Wei Zhou, Zhifeng Xue, Yunxing Li et al.·Aug 10, 2026SaveLearn
Machine-learning octet AB-type binary compounds across chemical space with domain knowledge of the interatomic bondThe prediction of the structural stability of octet AB-type binary compounds is a classical materials informatics problem. The challenge is to capture the relative stability of 4-fold coordinated…Rohan Kumar, Mariano D. Forti, Aakash A. Naik et al.·Aug 10, 2026SaveLearn
All-Electron Single-Atom Reference Correction for Absolute Transition Energies in Fixed-Reference PAW-XCH CalculationsThe transition energy of a core-loss spectrum comprises a transferable atomic core-reference contribution and a material-dependent response that determines chemical shifts. Density functional theory…Yinan Wang, Teruyasu Mizoguchi·Aug 10, 2026SaveLearn
Multitask Scanning Probe MicroscopyScanning probe microscopy provides nanoscale access to structural, electrical, electromechanical, magnetic, and mechanical properties of materials. Its increasing use for wafer-scale characterization…Aditya Raghavan, Yu Liu, Ian Mercer et al.·Aug 10, 2026SaveLearn
Self-induced crystalline fluctuation spin-glass state in Mn7C3 binary compoundsCrystalline spin glasses are attractive compounds owing to their unique nature and applications. Here, we synthesised a bulk Pnma-type Mn7C3 spin glass by a high-temperature, high-pressure method.…Zekun Yu, Chao Zhou, Kuo Bao et al.·Aug 10, 2026SaveLearn
Altermagnetism-Induced Spin-resolved electronic structure in Janus FeX0.5Y0.5 Monolayers (X, Y = S, Se, Te)Realizing the spin-resolved electronic properties in superconducting materials stands as a critical frontier, offering both novel fundamental physics and potential for dissipationless spin-based…Mengyang Zhang, Jie Li, Yifei Chen et al.·Aug 10, 2026SaveLearn
Electronic conductivity in anharmonic crystals: Phonon dephasing in the electron-phonon interactionThe electron-phonon interaction underpins many material properties, for example, the conductivity of metals and the optoelectronic response of semiconductors. First-principles calculations of the…Mingran Kong, Bartomeu Monserrat·Aug 10, 2026SaveLearn
Wrinkling in Selected Polymer Thin Films Induced by Combined Ion Beam and Humidity ExposureThis study investigates ion beam sputtering (IBS)-induced surface wrinkling phenomena in three polymers with varying hydrophilicity: poly-hydroxy-ethyl-methacrylate (pHEMA), poly-4-vinyl pyridine…Alessia Danagoulian, Benli Jiang, Nicholas Russo et al.·Aug 10, 2026SaveLearn
Anharmonic dephasing in the electron-phonon interactionElectron-phonon coupling has been a central topic in condensed matter physics for decades, and firstprinciples methods have demonstrated remarkable success in quantitatively capturing its role in a…Mingran Kong, Bartomeu Monserrat·Aug 10, 2026SaveLearn
Energy-efficient spin Hall nano-oscillators using near-compensated CoGd ferrimagnetsConventional spin Hall nano-oscillators (SHNOs) based on ferromagnets face practical limitations due to high threshold current densities and large external magnetic field requirements. Ferrimagnets…Jiayu Lei, Raghav Sharma, Shishun Zhao et al.·Aug 10, 2026SaveLearn
Temperature-Driven Sequential Modeling for the Prediction of Annual Power Conversion Efficiency Profiles of Organic Photovoltaic Materials: Douala Case StudyOrganic photovoltaic (OPV) materials are promising candidates for distributed solar energy in tropical regions, yet existing virtual screening tools report static power conversion efficiency (PCE)…Steve Cabrel Teguia Kouam, Rockefeller Rockefeller, Raoult Dabou Teukam et al.·Aug 9, 2026SaveLearn
A Dataset of Equilibrium State Configurations of Adsorption in ZeolitesZeolites are crystalline nanoporous materials widely used in adsorption, separation, and catalytic processes. Molecular simulations are commonly used to predict adsorption properties, but most…Marko Petković, Rachna Ramesh, Vlado Menkovski et al.·Aug 9, 2026SaveLearn
Light-Stabilized Metastable Electronic State in NiO with Enhanced Orbital HybridizationLight-driven control of electronic structure in correlated metal oxides offers new opportunities for optimizing materials used in photovoltaic and photoelectrochemical technologies. We show that…Thomas C. Rossi, Fabio G. Santomauro, Lars Mewes et al.·Aug 9, 2026SaveLearn
Distribution of Relaxation Times analysis of evolution of Oxygen Reduction Pathways for ionic conductor infiltration on MIEC cathodeSolid oxide fuel cells (SOFCs) are promising electrochemical energy conversion devices; however, the sluggish cathodic oxygen reduction reaction (ORR) remains a major limitation for…Rakhi Saha, Preethi Sudarsan, Manju Kumari et al.·Aug 9, 2026SaveLearn
Microscopic Origin of Spin Splitting in Altermagnetic CrSb Thin FilmsAltermagnets have recently emerged as promising materials for spintronic applications owing to their momentum-dependent spin splitting. Among them, metallic CrSb is particularly attractive owing to…Dai Mingyang, Song Hongquan, Kang Zhuo et al.·Aug 9, 2026SaveLearn
An Automated Magnetron Sputtering Chamber for Ferroelectric Thin Film DepositionOptimization of next-generation materials synthesis and manufacturing processes can be accelerated by effective use of digital datasets. However, a majority of existing custom research…Stanislav A. Udovenko, Ian Mercer, Sarah Olandt et al.·Aug 9, 2026SaveLearn
High Thermal Conductivity of Back-End-of-Line Compatible Diamond FilmsBack-end-of-line (BEOL) thermal management requires electrically insulating heat-spreading dielectric that can be integrated within thermal budgets below 400 C. Here, we report polycrystalline…Jinwen Liu, Chufei Cheng, Feifei Tan et al.·Aug 9, 2026SaveLearn
Unified open-boundary electrostatics in real-space density functional theoryWe present an electrostatic formulation in real-space density functional theory that provides a systematic and unified treatment of the open-boundary electrostatics of isolated and partially periodic…Rajat Kumar, David Codony, Phanish Suryanarayana et al.·Aug 9, 2026SaveLearn
Thermo-mechanical Characterization of 2D hexagonal Boron Phosphide (h-BP)This study explores the thermo-mechanical properties of a two-dimensional (2D) monolayer hexagonal boron phosphide (h-BP). h-BP is predicted to possess a moderate band gap, high thermal stability,…Zahabul Islam·Aug 9, 2026SaveLearn
Pressure-Induced Stacking Disorder and Suppression of Long-Range Sm-type Order in Medium-Entropy Rare-Earth AlloysRare-earth medium-entropy alloys provide a platform for investigating how chemical disorder modifies the well-established pressure-induced structural evolution of close-packed 4f lanthanides. Here,…Raimundas Sereika, Matthew P. Clay, Kallol Chakrabarty et al.·Aug 8, 2026SaveLearn
An Interfacial Balance Rule Governs Binder-Electrolyte Coupling in Lead-Free Perovskite Energy StorageElectrode binders are conventionally regarded as inert structural components. Here, we show that in lead-free perovskite supercapacitors, the binder defines the optimal electrolyte composition.…Arun Kumar, Ayush Kumar Pandey, Ankur Yadav et al.·Aug 8, 2026SaveLearn
Denoising Diffusion Monte Carlo Electron Densities with Physically Informed Variance Stabilization: From Fourier Filters to 3D UNETsObtaining accurate electron densities is important for the fundamental description of molecular and condensed matter systems, as well as for the development of next-generation density functionals.…Kenneth O. Berard, Brenda Rubenstein, Jaron T. Krogel·Aug 8, 2026SaveLearn