Materials Science
We demonstrate an experimental approach to determine magneto-optical effects which combines x-ray magnetic circular dichroism (XMCD) with x-ray interferometry, based on the concepts of Young's canonical double slit. By covering one of two…
Recently, a first successful synthesis of the unknown bulk manganese monocarbide (MnC) has been reported. Suggested as a potential superhard material, the compound is found to crystallize in the zincblende (B3) structure. In the present…
Quantitative description of finite-temperature properties of displacive ferroelectrics, and in particular the critical behavior, is of fundamental importance to both theory and device design, going beyond the Landau-Ginzburg approach, which…
Intercalated van der Waals (vdW) magnetic materials host unique magnetic properties due to the interplay of competing interlayer and intralayer exchange couplings, which depend on the intercalant concentration within the van der Waals gaps.…
A two-dimensional (2D) Weyl semimetal featuring a spin-polarized linear band dispersion and a nodal Fermi surface is a new topological phase of matter. It is a solid-state realization of Weyl fermions in an intrinsic 2D system. The…
Altermagnets are an emerging class of collinear antiferromagnets that exhibit unconventional spin-polarised electronic bands, potentially unlocking new functionalities that do not rely on spin-orbit coupling (SOC). Experimental signatures…
Dislocation core chemistry in oxides critically influences mechanical behavior and functionality; yet the evolution of core chemistry during the dislocation motion in them has not been directly observed. Here, using SrTiO3 as a model…
TrueEBSD is an open-source MATLAB program for image alignment and spatial distortion correction of images and electron backscatter diffraction (EBSD) maps. We have re-implemented TrueEBSD as an add-on to MTEX, an established toolbox for…
Autonomous science is transforming how we discover materials and chemical systems for advanced energy technologies. However, many initially promising systems never reach deployment. This "valley of death" stems from optimization that…
The rational design of bifunctional electrocatalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is essential for achieving efficient and cost-effective overall water splitting. Atomically dispersed…
Organic--inorganic complexes are promising materials for light-emitting applications. Here, we report a new organometallic complex, cis-[Cd(Tz)$_2$(py)$_2$], featuring a distorted octahedral Cd(II) coordination environment. IR and Raman…
Fabrication process-induced performance variability remains a formidable barrier in the high-volume manufacturing of semiconductor chips. With skyrocketing Artificial Intelligence (AI) workload, demand for non-volatile and computational…
In this report, we provide a theoretical framework for the magnetic behavior of the Griffiths phase, which, along with three-dimensional spin-1/2 Ising ferromagnetic systems, can be extended to antiferromagnetic as well as ferrimagnetic…
While vertical GaN-on-silicon architectures promise a transformative leap in cost-effective power electronics and high-resolution micro-LEDs, their deployment remains bottlenecked by the high electrical resistance of conventional epitaxial…
The current structure-centric paradigm in artificial intelligence (AI)-driven materials discovery, despite delivering thousands of candidate structures, is stalling at a critical barrier: the synthesizability gap. We argue that closing this…
Achieving long-term stability in high-capacity lithium-ion battery anodes remains a critical challenge. In this study, we present a materials-intrinsic strategy for extending the cycle life of Ge, a promising next-generation anode material,…
Dilute Mg-Zn wires are of great interest for biodegradable small-bone fixation, as magnesium degradation can support bone-related processes, while low zinc additions may provide biological benefits without compromising biocompatibility. In…
Reliable optical control of valley degrees of freedom in moir\'e excitons requires that the emitted polarization faithfully reflect the underlying valley state. Here, we show that linearly polarized photoluminescence from WSe2/WS2 moir\'e…
A suite of classifiers was developed to distinguish experimentally synthesized zeolites from computationally predicted zeolite-like structures. Using convolutional neural networks applied to 3D volumetric grids, these classifiers achieve…
We present a novel multi-stage workflow for computational materials discovery that achieves a 99% success rate in identifying compounds within 100 meV/atom of thermodynamic stability, with a threefold improvement over previous approaches.…