材料科学
The phonon Hall effect describes the generation of a transverse heat current in response to a longitudinal thermal gradient in a magnetic field. Here, we theoretically demonstrate that, when the lattice excitations deflected by the Hall…
Understanding phonon transport in alloys is crucial for the design of high-performance electronic and thermoelectric devices. However, conventional theoretical models fail to provide a clear physical picture of phonon scattering caused by…
Two-dimensional (2D) materials exhibit excellent properties at monolayer thickness and are viable replacements for various microelectronic components as scaling gradually approaches the atomic limit. Despite significant advancements in the…
Predicting a material's properties from its structure is a central, fast-advancing problem in computational materials science. A decade of work has produced standard public benchmarks and many published machine-learning models for the task…
Using the Landau-Ginsburg-Devonshire approach we show that the linear gradient-type coupling between the electric polarization vector and antiferrodistortive long-range order parameter pseudovector, that has the form of Lifshitz invariant…
We derive an equation describing domain wall motion in antiferromagnets under the influence of normal strain. From this equation, we find that the domain wall moves towards positions where $\varepsilon_{xx}$ is high and $\varepsilon_{zz}$…
Porous electrodes couple electrical, chemical, mechanical, hydraulic, and thermal fields, yet conventional frequency-domain diagnostics interrogate only one of them: electrochemical impedance spectroscopy (EIS) the electrical response and…
Antiferroelectrics exhibit reversible antipolar-polar transformations, offering a compelling platform for multiple functionalities in modern nanoelectronics, yet deterministic control of antiferroelectric domains and switching pathways…
We combine in situ synchrotron X-ray crystal truncation rod measurements with a binary Burton-Cabrera-Frank model to quantify indium incorporation during InGaN growth by metal-organic vapor phase epitaxy (MOVPE) on GaN(0001). By…
Altermagnetism is an emerging class of magnetic order characterized by momentum-dependent spin-split electronic structures despite vanishing net magnetization. Although momentum-space signatures consistent with altermagnetism have been…
Dislocation theory has underpinned crystal plasticity for a century, yet its lattice-dependent definition cannot describe plastic flow in grain boundaries, glasses, ceramics, or nanocrystals near the glass transition, where no periodic…
Defects limit the performance of diamond in electronics and quantum technologies, yet how they nucleate from migrating point defects is rarely described as a phase transition. Here we show that dislocation-loop formation in diamond is a…
Crystals under one-dimensional (1D) confinement are well-known to exhibit drastic changes in metallicity, magnetic properties and chemical state, however, the intermediate phase space between binary metal halides and ternary metal halide…
The article reports on a series of n-type Bi2Te3-based thermoelectric materials prepared via a high-temperature melting combined with annealing process. The effects of Se doping content and annealing process on the carrier concentration,…
Two-dimensional ferromagnetic semiconductors with high Curie temperature, large magnetic anisotropy, and electrically tunable properties are highly sought for nanoscale spintronics. Here, using first-principles calculations, we predict a…
Controlling ultrafast magnetic dynamics is critical to understanding nonequilibrium spin interactions and advancing high-speed spintronics. However, a lack of efficient in situ tuning strategies leaves most ultrafast studies largely…
Instability is a major bottleneck in nanomaterials due to grain boundary (GB) activities under thermal or mechanical stimuli. The relaxation of GB will stabilize the properties of materials by structure modification of GBs to lower energy…
Closed-loop materials discovery iterates between proposing candidate structures and evaluating their properties, and property evaluation dominates the cost. In the generative variant, a learned prior proposes candidate crystals and a…
Chirality-induced spin selectivity (CISS) enables spin-dependent transport at chiral molecule/Au(111) interfaces and is used in spintronics when combined with ferromagnetic thin films in spin-valve-type hybrids. However, the influence of…
Magnetic order in crystals is governed by moment-carrying sublattices and ligand-mediated exchange pathways, yet standard crystal graph neural networks treat all atoms homogeneously and encode bonds primarily through pair distances. We…