528 papers
This study employs hybrid density functional theory with the Grimme D3 van der Waals correction to comprehensively characterize the electronic and structural properties of various layered VO polymorphs, revealing that while most unintercalated phases share similar band structures, intercalation primarily fills the lowest conduction bands and the high-temperature/pressure -phase exhibits distinct electronic behavior.
This study demonstrates that exchange hierarchy and lattice distortion in the distorted kagome magnet drive emergent dimensional reduction, reorganizing the system into weakly coupled spin chains that suppress three-dimensional magnetic order and stabilize a robust quantum-disordered state down to ultralow temperatures.
This paper develops a numerical model linking Chemical Vapor Infiltration (CVI) process parameters to the mesoscale pore structure and macroscale flexural strength of porous -SiC, revealing that specimens with initial porosity exceeding 30% require temperatures below 1273 K to maintain structural integrity, whereas those with lower porosity are temperature-independent.
This study employs first-principles many-body perturbation theory to reveal that monolayer SnS2 hosts saddle-point excitons with polarization-selective coupling at the M point, which lifts C3 rotational symmetry to generate three linearly independent excitonic states with potential applications in valleytronics.
This study demonstrates that thermal annealing of RF-sputtered -GaO thin films on silicon substrates significantly enhances their crystalline structure and refractive index, with the most pronounced improvements observed at 1000 C.
This paper proposes and validates a novel non-perturbative first-principles method based on the approximation that accounts for quantum and anharmonic nuclear effects in electron-phonon coupling, successfully reproducing standard linear results for aluminum while revealing significant non-linear corrections in palladium hydride.
Using multiplexed ultrafast photoemission spectroscopy, researchers demonstrate that photoinduced charge transfer at a molecule-2D material interface reshapes the energy landscape to drive femtosecond-scale, collective unidirectional molecular rotation and the formation of homochiral arrangements.
This study utilizes machine learning to reveal that charged domain walls in two-dimensional bismuth possess lower energy than uncharged ones and host topological interfacial states with accidental band crossings at the Fermi level, highlighting their potential for next-generation ferroelectric devices.
This paper proposes a computationally efficient method for uncertainty quantification in materials science by training a single model to predict ensemble-derived error bars, thereby approximating the accuracy of full ensembles with only a single additional model evaluation during inference.
Using microscopic-area angle-resolved photoemission to overcome surface termination challenges, this study reveals a dichotomy in electron-phonon interactions within PdCoO, characterized by weak coupling in the bulk and at CoO-terminated surfaces, but surprisingly strong polaronic coupling at the metallic Pd-terminated surface.
This paper presents a unified theoretical framework that coherently describes the photovoltaic Hall effect by demonstrating how bias electric fields and light jointly induce Berry curvatures and shift vectors to govern both field-induced circular photogalvanic effects and light-dressed anomalous Hall phenomena.
This paper presents a unified theoretical framework that coherently describes the photovoltaic Hall effect by demonstrating how both light-induced and bias electric field-induced mechanisms arise from Berry curvature engineering, thereby clarifying the distinct yet interconnected roles of field-modified transition parameters and light-dressed states in nonmagnetic materials.
This paper predicts that strain engineering in ferroelectric BaTiS3 induces distinct phase transitions that significantly enhance natural optical activity or activate the nonlinear anomalous Hall effect, establishing the material as a promising candidate for advanced optical and transport devices.
This study reports the first visible-light-emitting CdSe quantum wells utilizing wurtzite MnSe as an altermagnetic barrier, where photoluminescence experiments and simulations reveal a strong built-in electric field of 14 MV/m that significantly influences photon emission and recombination dynamics.
This paper presents a robust platform for synthesizing color-tunable, highly polarized perovskite quantum wires by encapsulating them within boron nitride nanotubes, which provide a protective shell that ensures stability during processing while enabling their use in nanoscale photonic devices and flexible assemblies.
This paper develops a microscopic framework incorporating Nambu-Goldstone and Berezinskii-Kosterlitz-Thouless fluctuations to explain the anomalous gate-tunable superconductivity in monolayer WTe, successfully reproducing key experimental observations such as the contrasting carrier-density dependence of and the sudden disappearance of superconducting fluctuations under strong disorder.
This paper presents an analytical model based on elastica theory with contact friction to predict the three distinct sliding modes (Folding, Pinning, and Unfolding) of a naturally curved cylindrical shell entering a rigid hole, offering a validated framework that replaces empirical snap-fit design with a predictive understanding of the interplay between elasticity, geometry, and friction.
This study proposes and experimentally demonstrates a highly efficient, current-driven method for switching topological spin chirality in the van der Waals antiferromagnet Co1/3TaS2 via intrinsic self-torque, eliminating the need for external magnetic fields or heavy metals and establishing a practical pathway for chiral spintronics.
This study investigates the ultrafast carrier and phonon dynamics at the GaP/Si(001) heterointerface, revealing that while a robust 2-THz coherent phonon mode persists through high-temperature overgrowth, its amplitude is non-monotonically modulated by the interplay between interface electronic states and atomic reorganization.
This paper demonstrates that adding a 1-nm Cu seed layer to simple polycrystalline Co-based spin valves enables high giant magnetoresistance ratios of 5–7% even with sub-2-nm free layers, thereby overcoming signal deterioration to support high-performance spin-orbit-torque devices.