Physics
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…
The most irreplaceable capability of HST in the 2030s is not only its angular resolution or its UV--optical sensitivity, but its accumulated time baseline. We recommend a Hubble Local Group Astrometric Legacy that would obtain matched 2030s…
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…
Many experimental studies have reported variations in interfacial tension. Isolating all the geometric and fluid material parameters and varying the interfacial tension can be useful to check their influence. Numerical investigations using…
This paper develops a reduced-order framework for modelling the two-way coupling between gravity waves and turbulent wakes in large-scale wind farms. Linearising the non-hydrostatic Boussinesq equations and introducing simplifications…
Current observations with the James Webb Space Telescope (JWST) suggest that star-forming galaxies produce enough ionizing (LyC; $\lambda < 91.2$ nm) photons to drive cosmic reionization, but the efficiency with which these photons escape…
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…
Generating and characterizing uniform and staggered spin polarization in antiferromagnets is one of the key challenges for antiferromagnetic spintronic technology. Here, we perform perturbative theory, group-theoretical symmetry analysis,…
Alloy-based perovskite solar cells offer tunable properties and improved stability, but their complexity has impeded accurate modeling, hindering development. We present a machine-learning (ML) accelerated atomistic modeling approach for…
Machine learning interatomic potentials (MLIPs) have transformed materials discovery by leveraging graph neural networks (GNNs) to predict material properties with near density functional theory (DFT) accuracy. While large-scale pretrained…
Pnictogen-based solar absorbers have gained prominence as promising nontoxic and stable alternatives to lead-halide perovskites (LHPs), but are severely limited by carrier localization, preventing their performance from approaching those of…
Nontrivial topological spin-textures, such as skyrmions, merons, bimerons, and skyrmioniums, are envisioned as robust building blocks for future memory and logic devices. Controllable transformations between these states require a…
The simplified lattice Boltzmann method (SLBM) is a recent development in the lattice Boltzmann method (LBM) community, addressing the intrinsic limitations of the traditional LBM by directly evolving macroscopic quantities and maintaining…
The efficiency of optical cooling of nuclear spins in a CdTe/CdZnTe quantum well is investigated as a function of an external magnetic field. Our results confirm that there is indeed an optimal external magnetic field for optical cooling.…
The hydrogen evolution reaction (HER) is central to sustainable hydrogen production, and nitrogen coordinated dual atom catalysts (DACs) offer a promising route to noble metal activity at low cost. Yet their vast compositional and…
Hybrid structure of two zigzag-edge graphene nanoribbons with a fused porphine ring in between, results in two distinct nearly degenerate ground states: a semiconducting antiferromagnetic state and a conducting ferromagnetic state with…