Materials Science
We demonstrate high-throughput three-dimensional imaging of threading dislocations in ammonothermal GaN wafers using polarized-light microscopy with collimated LED illumination. Threading dislocations exhibited focal-depth-dependent…
The negatively charged nitrogen vacancy (NV-) center in diamonds is promising point defect for highly sensitive quantum sensing. The formation of high-density NV- centers is essential for improving sensitivity. We performed room-temperature…
Amorphous magnetic films are promising for anomalous-Nernst heat-flux sensing because their low thermal conductivity can enhance the temperature gradient generated by an applied heat flux. However, amorphization often degrades electronic…
We report circularly polarized magneto-photoluminescence (MPL) measurements on the enantiomeric pair of two-dimensional chiral perovskites R- and S-(C4H9NH3)2PbI4 in pulsed magnetic fields up to 50 T at 4.2 K. The R-form exhibits strong…
Universal machine learning interatomic potentials (uMLIPs) enable condensed-phase molecular dynamics (MD) simulations with near-first-principles accuracy, but their lack of explicit molecular topology limits bond-aware analysis and…
Dielectric capacitors are promising for pulsed power applications, but the energy storage performance of lead-free bulk ceramics is often limited by low breakdown strength and large ferroelectric hysteresis. Herein, a high entropy…
Resonators are a key component in modern communications and computing. As demand and technological advances push component requirements into the terahertz regime, there is significant research devoted to the search for resonances at these…
Cesium lead chloride (CsPbCl3) is a well known and principal model for inorganic perovskite halide optoelectronic research. The many available techniques including high temperature stability testing have been used to investigate the…
We present PtyRANNOSAUR, a data-driven neural network code that reconstructs atomic resolution electron ptychography data in seconds, 10-100x faster than standard methods. PtyRANNOSAUR uses convolutional autoencoders to map 4D-scanning…
In constrained alloy optimization, the compositions with the highest performance potential often reside at the boundary of phase stability -- where the risk of experimental failure is also highest. This work demonstrates this principle…
Kagome lattices provide an exciting space for the exploration of graphene-like $\pi$-conjugated molecular systems with flat bands. Using heterotriangulene-derived precursors, along with an on-surface Ullmann coupling process, makes growing…
Ferroelectric materials are key to energy-efficient electronics, memory, and optical applications. While charge carriers typically screen and suppress ferroelectricity, their role under nonequilibrium conditions remains elusive. Here, we…
The convergence of the self-consistent field iterations in Kohn-Sham density functional theory can be significantly hindered by the presence of small eigenvalues in the dielectric matrix, which are often associated with electronic phase…
Two-dimensional van der Waals (vdW) magnetic semiconductors CrSBr offer an ideal platform to achieve exciton-polaritons correlated with magnetic orders for developing solid-state quantum, spintronic, and photonic devices. However, for the…
We examine the intrinsic physical-chemical properties of the conjugated ladder-type polymer poly(benzimidazobenzophenanthroline) (BBL) in response to electron transfer. We aim at explaining the origin of the anti-ambipolar behavior behind…
Conjugated polymers exhibit unique spin-dependent phenomena arising from weak yet critical hyperfine interactions. Understanding these spin effects, particularly the spin-dependent formation and decay of correlated spin pairs, is important…
Message-passing neural networks (MPNNs) are widely used for molecular property prediction, but their deployment as monolithic architectures makes it difficult to identify how specific message-passing operators affect performance. We present…
Ternary transition-metal nitrides with layered crystal structures host anisotropic bonding and reduced dimensionality that may enable unconventional electronic and magnetic behavior. Yet, synthesis of such nitride thin films remains…
Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…
We investigate the propagation of longitudinal elastic waves in one-dimensional periodic composite rods composed of alternating segments of a shape-memory alloy (NiTiCu) and a polymer spacer (Parylene C). In the thin-rod regime, the…