材料科学
We present a multi-agentic workflow for critical materials recovery that deploys a series of AI agents and automated instruments to recover critical materials from produced water and magnet leachates. This approach achieves selective…
Kinetic understanding of hydrogen co-reduction of multinary and multi-phase oxides is of interest for enhancing sustainability of alloy production and transition to a hydrogen-based economy. Benefits include decrease in energy consumption,…
Hafnium hydride is a promising material for next-generation nuclear reactors, particularly as control rods for fast fission and shielding in fusion systems. The material's intrinsic brittleness encourages its use in the form of…
We report epitaxial growth of $\beta$-Ag2Te thin films by molecular beam epitaxy. $\beta$-Ag2Te, recently identified as a topological insulator, was grown by depositing Ag on InP substrate at room temperature followed by Te supply at…
The ability to control chirality and chiral phonons offers a route to manipulate the direction of spin and angular-momentum transport. In materials with rigid structural chirality, such as quartz, phonon chirality is fixed by the handedness…
Glass formation is one of the most important and fundamental open problems in glass science. Predicting whether a liquid can be easily frozen into a glass appears simple but is far from it. In this communication, we address glass formation…
Universal machine learning interatomic potentials (UMLIPs) offer accuracy close to first-principles calculations at a fraction of the cost, showing significant potential for large-scale material simulations. However, the fragmented UMLIPs…
Intelligent materials that self-sense and self-regulate are an emerging frontier in sustainable technology. Here we introduce Cu(Au)/C nanocomposite films that act as bioinspired self-adjusting lubricants. In these films, frictional heating…
The ferroelectricity in $\mathrm{HfO}_2$ thin films is widely attributed to the formation of a polar orthorhombic phase named OIII phase. However, the complexity of OIII phase originated from its low symmetry becomes an obstacle for…
The pursuit of extreme miniaturization and high power in 6G RF front-ends has cast thermal dissipation as the central challenge. Here, we have demonstrated the monolithic integration of functionally distinct single-crystal thin films,…
Magnetic anisotropy encodes key information about the free-energy landscape of magnetic materials, but its quantitative characterization often requires probes beyond conventional magnetometry. A quartz tuning-fork resonator provides direct…
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches rely on crystalline lattice mismatch to suppress periodic…
Ferroelectric $\mathrm{HfO}_2$ has attracted extensive research interest for its applications in AI era. The domain walls play a crucial role in phase structure stabilization and polarization switching of ferroelectric $\mathrm{HfO}_2$,…
We describe how thermally induced spin fluctuations modify the electronic structures of two prototypical altermagnets, CrSb and MnTe, via application of the disordered local moment picture. For both materials, our self-consistent, ab initio…
The recent discovery of altermagnetism has demonstrated that spin-split electronic band structures can emerge in magnetic systems with zero net magnetization. In contrast, fully compensated ferrimagnetic (fFIM) systems remain far less…
Scalar spin chirality (SSC) drives a series of topological transports in noncoplanar magnets. However, the ordering temperature of magnet hosting intrinsic SSC order is typically below 100 K. Current approaches to achieve near room…
Triboelectric nanogenerators or TENGs and piezoelectric nanogenerators or PENGs have emerged as promising platforms for harvesting mechanical energy and converting it into electrical energy for powering flexible electronic devices. However,…
First-principles calculations can accurately describe electron-phonon (e-ph) interactions and electronic transport in a wide range of materials, but are currently limited to unit cells with up to $\sim$100 atoms due to computational cost.…
We investigate the exchange coupling between a ferrimagnetic insulator (FI) thulium iron garnet (TmIG) deposited on a gadolinium gallium garnet (GGG) substrate, which shows perpendicular magnetic anisotropy and a ferromagnetic metal (FMM)…
ScxAl1-xN has emerged as a promising wurtzite-type ferroelectric material, where increasing the Sc composition reduces both the coercive field (Ec) and remanent polarization (Pr). This composition-dependent behavior is physically attributed…