Materials Science
Single crystals of SrMn$_2$Ni$_6$Te$_3$O$_{18}$, a member of the ferroaxial-type magnetic oxide family $AB_{2}C_{6}$Te$_3$O$_{18}$ ($A$ = Pb, Sr; $B$ = Mn, Cd; $C$ = Ni, Co), have been successfully grown, and their structural, magnetic,…
The discovery of materials with tailored properties is increasingly reliant on computational methods. However, the fragmented landscape of existing software often hinders the seamless integration of large-scale structure prediction with…
Unconventional magnets that combine antiferromagnetic structures with ferromagnetic-like responses are essential for the development of next-generation spintronics. Their emergent properties are fundamentally dictated by the interplay…
As closed-loop materials discovery systems scale to produce millions of candidate compounds, the credibility of the novelty they reward becomes a critical concern. Novelty is commonly assessed against databases of ordered crystal…
Berry curvature, as the imaginary component of quantum geometry, plays a crucial role in condensed matter physics. The spatial distribution of Berry curvature can be characterized by its dipole and multipole moments, which can induce the…
Whether the flash state in electrically driven solids involves non-equilibrium defect production or is accounted for by Joule heating alone has been debated since 2010. Using positron annihilation spectroscopy on copper, we observe a fully…
The electron velocity-electric field characteristics in short channel length (50-100 nm) amorphous oxide field-effect transistors (FETs) are described using measured experimental data from indium gallium zinc oxide (IGZO) FETs in…
Glassy silica is a foundational material in optics and electronics, yet accurately predicting its medium-range order (MRO) remains a major challenge for machine-learning interatomic potentials (MLIPs). While local MLIPs reproduce the…
Discovering materials that must simultaneously satisfy multiple competing constraints remains a central challenge in computational materials design, particularly in data-scarce regimes where conventional data-driven approaches are least…
The most technologically consequential materials are often the rarest: they occupy narrow regions of chemical space, obey competing physical constraints, and appear only sparsely in existing databases. High-kappa dielectrics, high-Tc…
Combining topological insulators with topological semimetals in the form of homologous superlattices is a promising approach for generating correlated quantum matter based upon Fermi level alignment with band extrema. For antimony…
Scalable synthesis remains the gate between MOF discovery and industrial deployment, as scale-up know-how is fragmented across disparate reports. We introduce ESU-MOF, a literature-mined dataset and a positive-unlabeled learning strategy…
The discovery of higher-order topological insulator (HOTI) has established a new paradigm for understanding symmetry-constrained boundary electronic states. Here, based on first-principles calculations, we demonstrate the emergence of HOTI…
Crystal structure prediction has traditionally relied on prototype-based seeding, approaches that often bias sampling toward known low-energy basins and overlook metastable polymorphs with unconventional symmetries. Here, we introduce…
Altermagnets, recently proposed as a third category of collinear magnets, combine the features of zero net magnetization in antiferromagnets and the spin splitting in ferromagnets. While abundant spectroscopic evidence for altermagnetism…
In recent years, layered kagome magnets have emerged as promising platforms for Berry-curvature engineering and unconventional transport phenomena. Here, we present the single-crystal growth, magnetization, and electrical transport…
Amorphous grain boundary complexions have been shown to increase the plasticity of nanocrystalline alloys as compared to ordered grain boundaries. Here, the effect of an important structural descriptor, amorphous complexion thickness, on…
K-ion intercalation in Prussian blue analogs (PBAs) is a well-established charge storage mechanism in potassium-ion batteries; here, we demonstrate that this same ion intercalation process is the basis for nanoscale resistive switching…
Transition metal dichalcogenides, a family of two-dimensional compounds, are of interest for a range of technological applications. MoS2, the most researched member of this family, is hexagonal, from which monolayers may be isolated. Under…
Magnetism has witnessed remarkable progress in recent decades, largely driven by its potential for next-generation storage devices. However, the classification of magnetic orders, even for fundamental concepts such as ferromagnetism and…