Materials Science
LaNiSb₃ Single Crystals Reveal Anisotropic Multiband Transport and Topological Semimetal Candidacy
Single crystals of LaNiSb₃, grown via Sn flux and confirmed in the orthorhombic Pbcm space group, exhibit metallic resistivity from 3–300 K alongside anisotropic, positive magnetoresistance reaching ~8% for H∥b. Hall resistivity and Kohler's scaling violation together indicate multiband (electron- a…
STM Current Pulses Enable Reversible Nanoscale Ferroelectric Switching in WTe₂
Researchers demonstrate that scanning tunneling microscopy (STM) current pulses can write, reposition, and erase persistent nanometer-scale structural patterns on the surface of WTe₂ — a Weyl semimetal and ferroelectric material. The induced patterns manifest as picometer-scale in-plane and out-of-p…
MX2 Monolayers Exhibit Non-Monotonic Friction-Load Dependence on Au/Ag Substrates, Breaking Amontons' Law
Classical MD simulations with ML force fields reveal non-monotonic friction force vs. normal load in MX2 (Mo/W-S/Se) monolayers on Au(111)/Ag(111) slid by Si tip, violating Amontons' law. Lateral force signals and Fourier analysis identify coexisting sliding modes—longitudinal, lateral slip, zig-zag…
Quantified Grain Growth Kinetics in High-Entropy (Cr,Mo,Ta,V,W)C1-δ Carbides via Spark Plasma Sintering
Spark plasma sintering of single-phase (Cr,Mo,Ta,V,W)C1-δ high-entropy carbides at 1750–1950 °C for 10 min reveals temperature-driven grain growth, lattice expansion, and Ta desegregation while preserving rock salt structure. Normal grain growth model with n=3 yields Arrhenius activation energy of 6…
Phonon Properties and Anharmonicity in Hexagonal Silicon and Germanium Allotropes for Quantum Device Optimization
This study employs meta-GGA functionals, DFPT, and first-principles DFT to analyze electronic structures, Raman-active phonon modes, lifetimes, scattering rates, and Gruneisen parameters in hexagonal allotropes of silicon and germanium. Key findings include frequency- and temperature-dependent anhar…
Strain-Mediated Lattice Reconstruction Elevates Ferromagnetism in 2D Heterostructures
Cr2Ge2Te6/WTe2 van der Waals heterostructures demonstrate enhanced ferromagnetism in Cr2Ge2Te6 (CGT), exhibiting a more than twofold increase in Curie temperature and significantly enhanced coercive fields. This phenomenon is attributed to interfacial charge transfer making CGT conductive and proxim…
Xe Bubble Re-solution Rates in U-10Mo Fuel Quantified via BCA and MD Simulations
BCA and MD simulations quantify Xe gas bubble re-solution in U-10Mo nuclear fuel, driven by fission fragment nuclear stopping while electronic stopping contributes negligibly. Re-solution rates range from 4.4e-26 m³/fission for large bubbles to 8.8e-25 m³/fission for small ones at equilibrium pressu…
ELECTRAFI Achieves State-of-the-Art Periodic Charge Density Prediction with 633x Speedup via Analytic Gaussian Transforms
ELECTRAFI models periodic charge densities in crystals using anisotropic Gaussians in real space, leveraging closed-form Fourier transforms and Poisson summation for analytic plane-wave coefficients. This enables full density reconstruction via single inverse FFT, bypassing grid probing, periodic su…
Microwave Resonant Magnetic Induction Tomography Images Spin-Wave Modes in Millimeter Ferromagnetic Spheres
Researchers demonstrate structural imaging of magnetostatic spin-wave modes in millimeter-sized ferromagnetic spheres using resonant magnetic induction tomography at microwave frequencies. This technique identifies non-trivial modes by resolving their azimuthal and polar dependencies, filling a gap …