Semiclassical thermoelectric transport in disordered Dirac electron system Ag2TeWe investigated the thermoelectric effects of the Dirac electron system Ag2Te under magnetic field. Our anal-ysis based on the Boltzmann semiclassical model associated the disorder with the…Kentaro Kuga, Keisuke Hirata, Daiki Goto et al.·Sep 4, 2026SaveLearn
Anharmonic Lattice Dynamics and Anisotropic Electron-Phonon Coupling in Quasi-1-Dimensional Charge Density Wave Ta2NiSe7The microscopic origin of charge density wave formation in quasi one dimensional Ta2NiSe7 remains actively debated, particularly regarding the relative contributions of Fermi surface nesting,…Prithwija Mandal, S. Nanthini, Aditya Singh et al.·Sep 4, 2026SaveLearn
Symmetry-protected triplet Weyl complexesThe Nielsen-Ninomiya theorem dictates that Weyl nodes must appear in pairs of opposite chirality to preserve global charge neutrality. However, in crystals, specific crystalline symmetries can…Yun-Yun Bai, Ke-Xin Pang, Yan Gao et al.·Sep 4, 2026SaveLearn
Cross-Layer Anomalous Hall Transport driven by Néel-Vector rotating in the Altermagnet candidate V2Te2OIn van der Waals (vdW) materials, weak interlayer coupling generally suppresses vertical dispersion, reinforcing the conventional paradigm that in-plane transport dominates over cross-layer channels.…Yanan Pan, W. Z. Zhuo, Pan Gao et al.·Sep 4, 2026SaveLearn
A locally ab initio computational framework for arbitrary incommensurate materials interfacesIncommensurate materials interfaces constitute a broad and technologically important class of systems, yet their lack of shared periodicity limits predictive and computationally efficient…Drake Niedzielski, Tomás A. Arias·Sep 4, 2026SaveLearn
Generalized Helicity-Dependent Magnetization Switching via Substrate PhononsCoherent excitation of circularly-polarized substrate phonons can drive deterministic reversal of magnetization in an adjacent magnetic layer. However, the extent to which this substrate-mediated…F. G. N. Fennema, H. Damas, H. Yoshikawa et al.·Sep 4, 2026SaveLearn
Influence of dislocation density on the tribological response in oxides: case study on SrTiO3Most ceramics suffer from brittle surface damage and cracking when small particles slide across the surface under low load. Microscratching tests are a useful technique to mimic this loading scenario…Chukwudalu Okafor, Oliver Preuß, Thomas Chudoba et al.·Sep 4, 2026SaveLearn
Local coordination, structural softening, and polarization-switching energetics in Sc-alloyed GaNSc-alloyed wurtzite nitrides exhibit strongly tunable electromechanical and ferroelectric properties, yet the relationship between their lattice evolution and local bonding environment remains…Shailesh Kalal, Gueorgui Kostov Gueorguiev, Martin Magnuson et al.·Sep 4, 2026SaveLearn
Nuclear quantum effects in the thermal conductivity of solid hydrogenWe use a combination of path integral and lattice dynamics methods to calculate the thermal conductivity of solid parahydrogen. Path integral molecular dynamics is first used to calculate a centroid…Hengtai Zheng, Zezhu Zeng, David E. Manolopoulos·Sep 4, 2026SaveLearn
Multi-task deep-learning optimization of trade-off properties for superior-performance Fe-based soft magnetic alloysFe-based amorphous alloys are promising soft magnetic materials for developing next-generation devices with high frequency and efficiency. However, optimization of Fe-based alloys with ultra-high…Kang-Yuan Li, Mao-Zhi Li, Wei-Hua Wang·Sep 4, 2026SaveLearn
Challenges in orbital current-driven domain wall motion in light metal/ferrimagnet heterostructuresRecent advances in spintronics suggest that orbital Hall currents generated by charge injection in light metals can provide nonequilibrium angular momentum without relying on strong spin-orbit…Min-Gu Kang, Jaerin Kim, Benjamin J. Jacot et al.·Sep 4, 2026SaveLearn
Field-Driven Coupled Magnon--Phonon--Electron Relaxation in Magnetite Using Steepest-Entropy-Ascent Quantum Thermodynamic FormalismA field-driven steepest-entropy-ascent quantum thermodynamic (SEAQT) formulation is developed for longitudinal nonequilibrium relaxation in magnetite (Fe3O4) with coupled electron, phonon, and…Deepak Dhariwal, William T. Reynolds,, Michael R. von Spakovsky·Sep 4, 2026SaveLearn
4 MV/cm (010) β-Ga2O3 Heterojunction Diodes Realized by Low-Damage e-Beam NiOx InterlayersWe report on the utilization of a low-damage e-beam NiOx deposition process to realize field-plated heterojunction diodes (FP-HJDs) on (010) β-Ga2O3 films with high critical breakdown…Carl Peterson, Yizheng Liu, Chinmoy Nath Saha et al.·Sep 4, 2026SaveLearn
Hydrogen Storage on Transition-Metal-Decorated Nitrogen-Modified Carbon NanoribbonsRecently synthesized carbon nanoribbons (CNRs) were investigated for hydrogen (H2) storage using first-principles density functional theory calculations. Pristine CNRs exhibited weak H2 adsorption;…Gom Dorji, Amrutha M, Brahmananda Chakraborty et al.·Sep 4, 2026SaveLearn
Light alkali metal functionalized two-dimensional C5N monolayers for enhanced hydrogen storageThis work presents a density functional theory (DFT) investigation of a two-dimensional (2D) C5N monolayer functionalized with Li, Na, and K for hydrogen storage. Pristine C5N exhibits weak H2…Gom Dorji, Sonam Peden, Syed Faraz Hasan et al.·Sep 4, 2026SaveLearn
Demonstration of room-temperature, magnetic-field-free, and ultralow-power spin-orbit torque logic device based on composition-uniform van der Waals magnet Fe3GaTe2Van der Waals magnets have received blooming interest in material science and spintronics for the advantages of low magnetization, flexible stacking, strong tunability, and dangling-bond-free…Zhengxiao Li, Qianbiao Liu, Wenliang Zhu et al.·Sep 4, 2026SaveLearn
Initialization-free ultralow-power programmable spin-orbit torque logic devices enabled by chirally asymmetric switchingSpin logic is of great interest for the development of high-performance, non-Von Neumann artificial intelligence chips. Of particular advantage is the programmable spin-orbit torque logic that can…Qianbiao Liu, Lijun Zhu·Sep 4, 2026SaveLearn
Metallic Organometallic and Semiconducting Covalent Phases of Free-Standing γ-Graphdiyne Molecular WiresOne-dimensional carbon allotropes combining sp and sp2 hybridizations provide a versatile platform for atomically precise quantum wires with tunable electronic, vibrational, and mechanical responses.…Antony G. L. Rodrigues, Guilherme S. L. Fabris, Bruno Ipaves et al.·Sep 4, 2026SaveLearn
Structural tuning of reduced exciton mass in layered HOIP compounds: Causation vs. correlationReduced exciton mass (μ) was recently reported to correlate strongly with a framework distortion in a series of nine single-layer (2D) metal-halide perovskite (HOIP) compounds. Specifically, μ…Isaac R. Burkholder, Cindy Y. Wong, André Schleife et al.·Sep 3, 2026SaveLearn
Calculation of DFT Spin-Orbit Spillage with Quantum ESPRESSOThis work describes the calculation of spin-orbit spillage from a crystal structure. Spin-orbit spillage provides a measure of the likelihood that a material has topological character. The spillage…Duy Quan Nguyen, Paul C. H. Li·Sep 3, 2026SaveLearn
Triboelectrification of a dense metal-organic framework for resilient mechanical energy harvestersTriboelectric nanogenerators (TENGs) incorporating metal-organic frameworks (MOFs) have largely been designed around porous architectures, based on the assumption that high internal surface area is…Chuzhan Jin, Debayan Mondal, Jiahao Ye et al.·Sep 3, 2026SaveLearn
Accelerating Atom Simulations with Variable-Block Sparse Matrix LibraryModern atomistic simulations increasingly employ localized orbitals to represent quantum operators, yielding sparse block matrices whose block shapes vary with chemical species and basis choice.…Zhanghao Zhouyin, Hong Guo·Sep 3, 2026SaveLearn
Reproducible capillary fluctuation analysis of solid-liquid interfaces for stiffness and anisotropy calculationsThe capillary fluctuation method (CFM) is widely used to compute solid--liquid interfacial properties from atomistic simulations, but its accuracy depends on choices in interface construction,…Kai Liu, Douglas E. Spearot, Damien Tourret·Sep 3, 2026SaveLearn
Strengthened Silicate Glasses by Residual Stress: Depth of Compression and Surface Flaws Stability ConditionsThe application of silicate glasses in severe service environments requires a precise evaluation of structural strength under mechanical loads and surface tribological conditions. Because glass…Guglielmo Macrelli·Sep 3, 2026SaveLearn
Synthesis and Characterization of Compositionally Complex (Gd/Ho/Er/Dy)2Zr2O7 Thin Film Combinatorial LibraryHigh-throughput synthesis and characterization of novel ceramic materials with improved thermomechanical properties and phase stability are needed to accelerate the discovery of next-generation…Dalton A. Pearl, Jade Holliman, Reece Emory et al.·Sep 3, 2026SaveLearn