材料科学
The altermagnetism with antiparallel spin alignment exhibits anisotropic spin splitting and may possess an insulating state with a high Neel temperature, while the charge-order-induced ferroelectricity has ultrafast electric polarization…
Two-dimensional altermagnets exhibit exceptional potential for low-power spintronics via nonrelativistic spin splitting and zero net magnetization. Here, we systematically investigate the influence of interlayer interactions on the…
AI-driven inorganic materials research has garnered significant attention due to its ability to reduce the time, labor, and cost associated with experiments. An AI model known as GNoME, recently developed by Google DeepMind, is particularly…
We demonstrate a pronounced decrease in the electrical resistance of highly disordered palladium (Pd) films deposited under a high working Ar pressure using a compact film coating system. The resulting resistance change ratio of up to…
Spin-resolved photoelectron spectroscopy (PES) is a major experimental probe of chirality-induced spin selectivity (CISS), yet it remains unclear whether the measured spin polarization reflects molecular chirality itself or the broader…
Understanding heat transfer across solid-liquid interfaces is central to thermal management and energy technologies, yet whether the interfacial thermal conductance (ITC) depends on the timescale of heating remains unclear. Here we use…
Spin-wave-based physical reservoir computing (RC) is a promising candidate for energy-efficient physical implementations of artificial intelligence because of its potential for nanoscale integration with low power consumption. Most of the…
Driven-dissipative dynamics underlie a wide range of nonequilibrium phenomena in quantum materials, yet reduced descriptions beyond the quasi-equilibrium picture remain difficult to establish. Here, we experimentally demonstrate that a…
We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional perturbation theory, we are able to parameterize this…
Based on detailed first-principles calculations, we investigate the tetragonal-to-hexagonal phase transition in Fe-doped BaTiO$_3$. Total energy calculations confirm a crossover from the tetragonal to hexagonal phases around 4\% Fe, in…
Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed…
Carbon-electrode-based PSC devices are stressed under 1 Sun equivalent illumination in a stability setup, and different scan-speed dependent current-voltage (J-V) curves are measured during aging. The collected data is used to estimate…
With growing interest in structural chirality in periodic solids, it has been suggested that chirality might constitute a new ferroic order parameter. In this work, we demonstrate, by means of a formal group-theoretical proof and a…
Sodium layered oxides often undergo phase transformations involving ordering or disordering of Na+ upon desodiation, i.e., when cycled as a battery electrode. Accurately characterizing these phases is crucial for understanding functional…
Several candidate reference phases have been proposed to discuss phase transitions and ferroelectricity in hafnia in recent years. Although these proposals comply with crystallographic requirements, a physically compelling rationale…
The real-world implementation of materials prediction algorithms remains limited by persistent characterization bottlenecks in materials discovery, where photon-based probe techniques (e.g., XRD or Raman) impose long acquisition times and…
Universal machine-learning interatomic potentials (uMLIPs) enable reactive molecular simulations with near-DFT accuracy, yet applying them efficiently to large, realistic condensed-phase systems remains computationally demanding. Here we…
Active learning (AL) has emerged as a powerful paradigm for accelerating materials discovery by iteratively steering experiments toward promising candidates, reducing the number of costly synthesis-and-characterization cycles needed to…
Chromium sulfur bromide (CrSBr) is a magnetic van der Waals semiconductor with a direct bandgap and pronounced anisotropy in its electronic, optical, spin and lattice degrees of freedom. Here, we employ spectroscopic imaging ellipsometry…
The high-temperature heat capacity of uranium mononitride (UN) remains uncertain due to conflicting measurements and models above ~1700 K. To assess whether intrinsic defect formation contributes to the observed superlinear behavior of…