材料科学
Floquet engineering provides a powerful and flexible method for modifying the band structures of quantum materials. While circularly polarized light has been shown to convert curved nodal lines in three-dimensional semimetals into Weyl…
An adaptive physics-inspired model design strategy for machine-learning interatomic potentials (MLIPs) is proposed. This strategy relies on iterative reconfigurations of composite models from single-term models, followed by a unified…
The realization of magnetic skyrmions in two-dimensional (2D) magnets holds great promise for both fundamental research and device applications. Despite recent progress, two-dimensional skyrmion hosts are still limited, due to the fact that…
We present an investigation into the crystal structure of ErVO4 under variable pressure conditions. The high-pressure single crystal X-ray diffraction experiments performed employing helium as the pressure medium facilitated structure…
The effects of pressure on the crystal structure of scheelite-type perrhenates were studied using synchrotron powder X-ray diffraction and density-functional theory. At ambient conditions, the studied materials AgReO4, KReO4, and RbReO4,…
Ag(I)-Bi(III)-based semiconductors have gained substantial attention as nontoxic, stable alternatives to lead-halide perovskites for optoelectronics, but are widely limited by carrier localization, which severely restricts diffusion…
Halide perovskites have been extensively studied owing to their excellent optoelectronic properties and their unique lattice characteristics, that are very soft and anharmonic. Recent studies indicate the importance of a deep understanding…
Chemical bonding governs how atoms interact to form compounds, thereby determining their physicochemical properties. Despite being an elusive concept, chemical bonding has led to the development of models and tools to explain and predict…
Patterned two-dimensional (2D) magnetic nanostructures constitute geometry-engineered spin systems in which exchange, anisotropy, dipolar coupling, and finite-size effects operate on comparable energy scales. Spatial modulation of…
Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…
Solid-state refrigeration technologies, represented by electrocaloric effect (ECE), are renowned for zero global-warming-potential and high cooling efficiency. Synergistically achieving high electrocaloric effect ({\Delta}T) and wide…
Oxygen transport membranes (OTMs), enabling catalytic reaction and gas separation, support crucial chemical engineering processes and decarbonization technologies, but their applications are hindered by limited oxygen permeation fluxes and…
Altermagnets offer a unique pathway to functional spintronics by combining vanishing magnetization with large spin splitting. Here, we demonstrate that the canonical d-wave altermagnet KV2Se2O can deliver giant tunneling magnetoresistance…
A large challenge in determining the physics of helimagnetic SrFeO3 is in stabilizing the stoichiometric chemical phase over long enough time scales to conduct extensive measurements. Degradation in SrFeO3 manifests mainly as a crossover…
Nanofluidic ionic transistors typically require gate voltages above 1 V and operate only at sub millimolar ionic strengths, limiting their biocompatible applications. We demonstrate ionic transistors consisting of single sub 10 nm nanopores…
Interpreting spectroscopy data is a critical bottleneck in automating chemical research and industrial characterization. Particularly within infrared (IR) spectroscopy, identifying compounds in complex, liquid-phase chemical mixtures…
Most microscopic descriptions of structural dynamics assume the Born-Oppenheimer separation, where electrons adjust adiabatically to ionic motion. When this separation breaks down, electronic and lattice degrees of freedom can evolve on…
The frequency- and time-resolved second order quantum coherence function (g(2)({\tau})) of single-molecule fluorescence has recently been proposed as a powerful new quantum light spectroscopy that can reveal intrinsic quantum coherence in…
We report bulk magnetic properties of ytterbium tantalate in its monoclinic fergusonite modification, M-YbTaO4. The spin-1/2 Yb3+ ions in this phase are arranged on a geometrically frustrated "stretched diamond" lattice. M-YbTaO4 cannot be…
The kinetics of hydrogen diffusion in C15 cubic and C14 hexagonal TiCr$_2$H$_x$ (0 < $x$ <= 4) Laves-phase hydrogen storage alloys is investigated with density functional theory (DFT) and machine learning interatomic potentials (MLIPs).…