Materials Science
Beta-Ti bcc-superalloys, comprising an A2 beta-Ti matrix reinforced by ordered intermetallic B2 beta-prime-TiFe precipitates, exhibit an unusual recrystallisation that occurs with no externally applied strain (i.e. no thermomechanical…
Solid materials are commonly classified as crystalline or amorphous based on the presence or absence of long-range order.Metal-organic frameworks (MOFs), like other solids,also display markedly different properties and functions in these…
We investigate the lattice dynamics of CaWO$_4$, a promising host crystal for erbium-based quantum memories, using inelastic neutron scattering together with density-functional perturbation theory. The measured phonon dispersion along the…
The inverse orbital Hall effect (IOHE) has recently attracted considerable attention as an emerging mechanism for terahertz (THz) emission based on ultrafast angular-momentum-to-charge conversion. Most experimental studies have focused on…
The Shastry-Sutherland lattice is a prototypical frustrated quantum magnet. It is notable for its exactly solvable dimer-singlet ground state and hosts a wealth of magnetic phenomena under external fields. Here, this work investigates the…
Metalized-film capacitors (MFCs) employ polymer organic dielectrics like polypropylene (PP) and polyimide (PI), in which self-healing is seen as a key advantage. However, the performance of self-healing depends on specific chemical…
2D van der Waals ferroelectrics, particularly alpha-In2Se3, have emerged as an attractive building block for next-generation information storage technologies due to their moderate band gap and robust ferroelectricity stabilized by dipole…
Epitaxial growth of orthorhombic SnSe on cubic substrates is challenging due to lattice-symmetry mismatch and anisotropic bonding. Here we demonstrate that epitaxial films with sharp interfaces can be achieved for layered SnSe grown…
The transition to a green hydrogen economy demands robust, scalable, and sustainable anodes for alkaline water electrolysis operating at industrial current densities (>1 A/cm2). However, achieving high activity and long-term stability under…
Understanding how nanocluster cocatalysts modify the electronic structure of III-nitride surfaces is central to the rational design of efficient photocatalytic interfaces. Here, we establish design principles for nanocluster cocatalysts on…
As the first experimentally discovered intrinsic magnetic topological insulator, MnBi2Te4 has attracted widespread attentions, providing a unique platform for the exploration of topological quantum phases, such as quantum anomalous Hall…
Coherent phonon excitation offers a nonthermal route to control quantum phases of condensed matter. In this work, we employ first-principles calculations to investigate the phonon landscape of (TaSe4)2I in its charge-density-wave (CDW)…
Ultrathin complex-oxide membranes provide a powerful platform for strain engineering, interfacial control, and heterogeneous integration; however, their formation remains constrained by the availability and performance of suitable…
This work is devoted to establishing the mechanisms of elastic oscillation influence on nucleation processes in metal melts. The method of physical modeling with low-temperature metallic alloys (Wood and Rose) and transparent organic media…
Nuclear quantum effects of protons on electronic excitations in hydrogen-bonded organic materials remains underexplored. In theoretical studies, modeling excitons in these extended systems is particularly difficult because they tend to have…
Layered MA$_2$Z$_4$ compounds, structural relatives of MoS$_2$ discovered in 2020, exhibit rich magnetic behavior arising from reduced dimensionality, noncentrosymmetric lattice symmetries, and stacking-dependent exchange interactions.…
Bayesian optimization (BO) is widely used for autonomous materials discovery, yet its classical sequential formulation is insufficient for design of experimental workflows that often combine parallel or batch synthesis with inherently…
Space-time materials are obtained by modulating a physical medium with a traveling-wave perturbation of one or several of its constitutive parameters, such as the density or the bulk modulus in the case of acoustic materials. When this…
Thermal stability and phase transformation of conductive $\alpha$-$(\mathrm{Al}_{0.16}\mathrm{Ga}_{0.84})_{2}\mathrm{O}_{3}/\mathrm{Ga}_{2}\mathrm{O}_{3}$ heterostructures on sapphire substrates were investigated using in situ…
Based on density functional theory (DFT), the formation energies of intrinsic vacancy defects (VC, VSi, and VSi+C) and oxygen-related defects (OC, OSi, OCVSi, and OSiVC) in 3C-SiC are systematically investigated. The results indicate that…