Materials Science
CrSBr is a van der Waals magnetic semiconductor exhibiting antiferromagnetic order below 140 K. It has emerged as a promising platform for engineering 2D magnetism because its intertwined electronic, optical, and magnetic properties can be…
Isotopic substitution modifies nuclear masses without altering the electronic potential energy surface to first order and is therefore often interpreted as a simple rescaling of vibrational frequencies. In solids with dense phonon…
Compositionally complex solid solutions provide a unique route for engineering high-performance electrocatalysts, where the polyelemental surface composition can be seamlessly tuned to optimize activity, selectivity, and stability. However,…
Leveraging strong optoelectronic responses to external stimuli, such as temperature and electric fields, is central to the development of advanced photonic technologies, including adaptive photodetectors and reconfigurable photovoltaic…
Light-matter interaction allows to achieve non-equilibrium states that are otherwise inaccessible. Motivated by recent experiments that report ferroelectricity -- and even multiferroicity -- in the prototypical diamagnetic band insulator…
We investigate the relation of electronic and optical properties to ultrafast strain in topological antiferromagnet Mn$_3$Sn thin films using near-infrared femtosecond laser pulses. Coherent acoustic phonon oscillations are generated and…
Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…
Magnetic skyrmion bags, as high-order topological swirling spin textures, offer rich fundamental physics and distinct advantages for spintronic applications; however, their realization remains a formidable challenge, especially in…
Flexomagnetism is the coupling between magnetism and strain gradients and is a technologically relevant phenomenon. We present a theory of elastic wave propagation in a linear elastic flexomagnetic material with microstructure and strain…
We report the demonstration of high-performance top-gated metal-oxide-semiconductor field-effect transistors (MOSFETs) based on the ultra-wide bandgap perovskite oxide SrSnO$_3$ (SSO). Using hybrid molecular beam epitaxy-grown SSO channels…
Crystal structure prediction is a long-standing challenge in materials science, with most data-driven methods developed for inorganic systems. This leaves an important gap for organic crystals, which are central to pharmaceuticals,…
Octahedral tilting is a fundamental structural distortion in perovskites, governing key phenomena such as lattice stabilizing, soft phonon dynamics, group-theoretical analysis, phase transitions, ferroelectricity, and even for tunable…
Artificial intelligence can rapidly propose candidate phases and structures from X-ray diffraction (XRD), but these hypotheses often fail in downstream refinement because peak intensities cannot be stably assigned under severe overlap and…
Ruthenium dioxide (RuO$_2$) has been proposed as a prototypical metallic $d$-wave altermagnet, a N\'eel-ordered compensated antiferromagnetic state exhibiting nonrelativistic momentum-dependent spin splitting; yet, its magnetic ground state…
We present a comprehensive experimental study of the neutral donor to donor-bound exciton transition (D$^0$$\rightarrow\,$D$^0$X) in isotopically enriched $^{28}$Si, focusing on the group-V donors P, As, and Sb under finely tuned uniaxial…
In indirect band gap materials, phonon-assisted processes are key mechanisms for photoluminescence (PL). Using a first-principles many-body approach, we systematically investigate the phonon-assisted PL in bilayer MoS$_2$ and its dependence…
Solid-state dewetting is the process by which thin solid films break up and retract on a substrate, forming nanostructures. While dewetting of single-crystalline films is understood as a surface-energy-driven process mediated by surface…
Plastics have become integral to our society due to their durability and water stability, which is achieved through strong intermolecular interactions. However, these properties also make them persistent disruptors of ecological cycles, in…
A three-dimensionally interconnected hexagonal boron nitride (3Di-hBN) networked Cu-Ni (3Di-hBN-Cu-Ni) composite was successfully synthesized in situ using a simple two-step process which involved the compaction of mixed Cu-Ni powders (70…
Improving the performance of metallic implants increasingly relies on the development of multifunctional surface modifications that combine structural stability, bioactivity, and prevention of bacterial colonization. Medium-entropy alloys…