Band structure of two-dimensional graphene and of one-dimensional nanoribbons via variational quantum algorithms: from energies to wavefunction qualitySimulating quantum many-body systems classically encounters exponential bottlenecks, which quantum devices circumvent by natively encoding wavefunctions. In the Noisy Intermediate-Scale Quantum…Raúl Medrano Millán, Rodrigo Gil-Merino y Rubio, Juan Borge et al.·Nov 3, 2026SaveLearn
Aging-Improved NH3 Sensing in Polypyrrole Nanotube ChemiresistorsPolypyrrole NH3 chemiresistors in nanotube (NT) and planar film (PF) morphologies are compared on response magnitude, limit of detection (LOD), sensitivity, and response/recovery kinetics,…Arya Mohan, Olivia Kamdom, Antoine Enel et al.·Nov 3, 2026SaveLearn
Effect of molybdenum content on phase transformations during continuous heating of metastable β Ti-Mo alloysThree metastable β titanium alloys with different molybdenum contents, Ti-12Mo, Ti-15Mo and Ti-18Mo (wt.%), were investigated to determine the influence of β-phase stability on phase…Veronika Kočiščáková, Anna Veverková, Josef Stráský et al.·Nov 3, 2026SaveLearn
Controlling nitrogen incorporation in (Eu,Ba,Ca)TiO3-derived perovskite-type oxynitrides through Fermi Level EngineeringDefect states directly influence not only functional properties, but also oxynitride formation during ammonolysis. Along with structural stability and charge balance, these defects can cause…Margarida Barroso, Marie Neumann, Rachele Sciotto et al.·Nov 3, 2026SaveLearn
Effect of compensation on magnetic ordering in (Ga,Mn)AsThe real mechanism of ferromagnetism in III-V diluted magnetic semiconductors such as Ga1-xMnxAs is still debated. The experimental results point out the realization of appreciable…I. A. Kokurin, N. S. Averkiev·Nov 3, 2026SaveLearn
Statistically Robust Characterization of Polaron and Bipolaron Intrinsic Traps in Amorphous Silica Reveals the Role of Network Flexibility in Electron LocalisationIntrinsic electron localization in amorphous silica (a-SiO2) contributes to charge trapping and defect generation in silica-based electronic materials - a phenomenon that degrades logic-device…Robin Delhomme, Jonathon Cottom, Emilia Olsson·Nov 3, 2026SaveLearn
Hydrogen-induced modification of the local charge density in MnSb2Te4We investigate the effects of ionic hydrogen (H+) intake on the occupied and unoccupied states of MnSb2Te4, a van der Waals magnetic material. Using angle-resolved photoemission spectroscopy…Kyriaki Samioti, Weiyan Qi, Stefano Ponzoni et al.·Nov 3, 2026SaveLearn
Spin-Density-Driven Hybrid Spin Splitting in Collinear Compensated MagnetsNonrelativistic spin splitting in collinear compensated magnets is constrained by spin-group symmetry, with distinct alternating and Zeeman-type splitting typically associated with altermagnets and…Peibo Xu, Yixuan Che, Yuxuan Li et al.·Nov 3, 2026SaveLearn
Interfacial Hole Accumulation Enables Selective Free-Surface Formation in Ge-on-SiElectrochemically formed two-dimensional free surfaces (2DFS) decouple Ge epilayers from the misfit-dislocation network at the Ge/Si interface, but the origin of their selectivity has remained…Youcef A Bioud, Meriem Bouchilaoun, Waldemar Schreiber et al.·Nov 3, 2026SaveLearn
A general sharp-interface simulation framework for microstructure evolutionSimulating microstructure evolution requires tracking many moving grain and phase boundaries coupled to thermodynamic and mechanical fields. We present Gaussian-projected kinetics (GPK), a…Albert Linda, Dierk Raabe·Nov 3, 2026SaveLearn
Strain-Glass Dynamics in the Superionic Conductor Na3PS4Ionic conduction in solid-state electrolytes is conventionally described by mobile cations migrating through a static host lattice. Yet the fastest conductors are often the most disordered, and how…Erik S. Lamb, Nicolò D'Anna, Phillip Ridley et al.·Nov 3, 2026SaveLearn
Annealing-Induced Structural and Optical Evolution of Ion-Beam-Sputtered Ta2O5 Films for High-Power Laser ApplicationsTantalum pentoxide (Ta2O5) thin films deposited by ion beam sputtering (IBS) are essential components in high-power laser systems, where post-deposition annealing is routinely used to optimize film…Chang Chen, Yuan Fang, Yanzhi Wang et al.·Nov 3, 2026SaveLearn
TT-SCHA for Thermodynamics of Binary AlloysThe free energy of a crystal is an integral over the positions of all its atoms, in 3N dimensions. We evaluate it without random sampling for the ordered alloys B2 NiAl and gamma-TiAl with…Boian S. Alexandrov, Dimiter Petsev·Nov 3, 2026SaveLearn
Emergence of Berry curvature dipole and nonlinear Hall effect in a novel hexagonal borophosphene allotropeWe investigate the electronic structure, local orbital coupling, and strain-tunable nonlinear Hall response of two arsenic-substituted borophosphene-derived monolayers, As@MBP and As@AMBP, using…Ranjan Kumar Tung, Dimple, Venkatesan Subramanian et al.·Nov 3, 2026SaveLearn
Thermally enhanced magnon-phonon resonance in van der Waals antiferromagnet FePS3Strong coupling between collective excitations provides a route to controlling quantum states of matter, yet its evolution under thermal fluctuations remains poorly understood. In the van der Waals…Kai-Xuan Zhang, Beom Hyun Kim, Seungbok Lee et al.·Nov 3, 2026SaveLearn
Orbital Hall effect from the Wannier function approachUsing the Wannier function approach, we develop a gauge-covariant formalism for the orbital angular momentum (OAM) operator and the orbital Hall conductivity (OHC). The Wannier function formulation…Tapesh Gautam, S. Satpathy·Nov 3, 2026SaveLearn
greenWTE: Frequency-domain solver for the phonon Wigner Transport Equation with arbitrary heating using Green's functionsHeat transport in solids is usually described in a phenomenological way via Fourier's law. However, at small time and length scales in low thermal conductivity materials, a microscopic…Laurenz Kremeyer, Bradley J. Siwick, Samuel Huberman·Nov 3, 2026SaveLearn
Multiplicity of elastic wave propagation in random polycrystalsThe coherent elastic wave in untextured polycrystals, central to ultrasonic and seismic characterization, was recently observed to have two modes per polarization at short wavelengths. However, their…Ming Huang, Stanislav I. Rokhlin, Michael J. S. Lowe·Nov 2, 2026SaveLearn
Dynamical Phonon Anharmonicity Drives Charge-Density-Wave Softening and Electronic Quasiparticle Decoherence in Monolayer 1H-NbSe2Charge-density-wave (CDW) instabilities in two-dimensional materials are governed by strongly anharmonic soft phonons, whose dynamical behavior remains poorly understood beyond the statically…Yi Xia·Nov 2, 2026SaveLearn
Triboelectric nanogenerators across length scales: linking materials, multiscale modelling and applicationsTriboelectric nanogenerators (TENGs) convert low-frequency mechanical energy into electricity and enable self-powered sensing. Their performance depends on interactions among material properties,…MD Tanzib Ehsan Sanglap, Ans Al Rashid, Abdullah Sayam et al.·Nov 2, 2026SaveLearn
Early-age formation of MgO-SiO2 binders and the effect of hydromagnesite and dehydrated hydromagnesite: An in situ synchrotron X-ray diffraction and pair distribution function studyMgO-SiO2 binders are promising low-CO2 alternatives to Portland cement that can permanently store CO2 by incorporating magnesium carbonate phases. Adding a magnesium carbonate such as…Jordan Mravca-Bailey, Claire E. White·Nov 2, 2026SaveLearn
Possibility of Potts Spin-Ice in Rare Earth Twisted-Kagome Layers: an Example of DyAgGeThree-dimensional (3D) spin-ice compounds, predominantly based on the pyrochlore or spinel structure, have been attracting considerable interest in the last two decades. A two-dimensional (2D)…Gunnar F. Schwertfeger, Po-Hao Chang, Predrag Nikolic et al.·Nov 2, 2026SaveLearn
Agentic inverse design of spatially programmed materialsSpatially programmed functional materials, from functionally graded alloys and metamaterials to quantum superlattices, use their spatial structure to tailor physical properties. However, translating…Denisse Córdova Carrizales, Abhijatmedhi Chotrattanapituk, L. Dagny Davis et al.·Nov 2, 2026SaveLearn
Current-Confined Formation of a Buried Ge/Si Free Surface for Defect FilteringLattice-mismatched heteroepitaxy is limited by misfit dislocations, threading defects, and residual strain generated at buried interfaces. Here, we show that current-confined electrochemistry…Youcef A. Bioud, Meriem Bouchilaoun, Waldemar Schreiber et al.·Nov 2, 2026SaveLearn
Internal friction and frequency-dependent conductivity in the bivariate site energy model for the mixed alkali effect in glassesThe mixed alkali effect is fundamental to understanding ion transport in glasses. It manifests itself in strong changes of various ionic transport properties when one type of ion is successively…Justus Leiber, Sven Lohmann, Quinn Emilia Fischer et al.·Nov 2, 2026SaveLearn