材料科学
We demonstrate electrically switchable, non-volatile dipoles in graphene/thin hBN/$\alpha$-RuCl$_3$ heterostructures, stabilized purely by interfacial charge transfer across an atomically thin dielectric barrier. This mechanism requires no…
Orbital magnetization typically plays a minor role in compounds where the magnetic properties are governed by transition metal elements. However, in some cases, the orbital magnetization may be fully unquenched, which can have dramatic…
The high-pressure behavior of 3D metal halide chalcogenides (MHPs) has been widely studied. In the field of high-pressure technology, the studies on 3D MHPs have focused on the structural and optical properties, where the optical properties…
Electron cryo-tomography (cryo-ET) enables 3D imaging of complex, radiation-sensitive structures with molecular detail. However, image contrast from the interference of scattered electrons is nonlinear with atomic density and multiple…
As silicon-based computing approaches fundamental physical limits in energy efficiency, speed, and density, the search for complementary materials to extend or replace CMOS technology has become increasingly urgent. While two-dimensional…
As momentum-resolved Electron Energy Loss Spectroscopy (q-EELS) becomes more widely used for phonon measurements, better understanding of the intricacies of the acquired signal is necessary. Selection rules limit the allowed scattering,…
The lower mantle of Earth, characterized by pressures of 24-127 GPa and temperatures of 1900-2600 K, is still inaccessible to direct observations. In this work, we investigate by first principles the stability, phase diagram, elastic…
Magnetic anisotropy (MA) plays a crucial role in deciding both static and dynamic behaviour of magnetic thin films. It controls various phenomena, such as magnetization reversal, domain formation, domain-wall motion, spin-wave generation,…
Ferroelectric van der Waals materials offer switchable polarization states, yet optical readout of their stacking configurations remains challenging. Building on the resonant exciton-exciton annihilation (EEA) mechanism in 2H-phase TMDs, we…
Tantalum pentoxide (Ta2O5) is a polymorphic wide-bandgap semiconductor with outstanding dielectric properties and widespread use in optical and electronic technologies. Its rich structural diversity, arising from multiple polymorphs…
Magnetic skyrmions are intriguing topological spin textures that have attracted great attention due to their potential for future spintronic devices. Skyrmions have so far been explored in different magnetic materials, such as ferromagnets,…
Intercalation of magnetic atoms into van der Waals materials provides a versatile platform for tailoring unconventional magnetic properties. However, its impact on electronic dimensionality and exchange mechanisms remains poorly understood.…
The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo-diodes, or memory cells, in the ballistic limit of…
The adsorption of single atoms on pristine and defected hexagonal boron nitride (h-BN) was systematically investigated using density functional theory. Elements from the first three rows of the periodic table, together with selected…
Universal machine-learning interatomic potentials (uMLIPs) have become powerful tools for accelerating computational materials discovery by replacing expensive first-principles calculations in crystal structure prediction (CSP). However,…
Electron chirality has been proposed as a microscopic quantity that characterizes electronic handedness, yet its underlying control parameter has not been clearly identified. Furthermore, its applicability is limited to systems with…
Lateral heterostructures of 2D transition metal dichalcogenide offer a powerful platform to investigate photonic and electronic phenomena at atomically sharp interfaces. However, their controlled engineering, including tuning lateral domain…
The coupling of atomic vibrations to electronic excitations - traditionally understood to be a source of energy loss in semiconductors - has recently been explored in photosynthetic light harvesting as a means to circumvent dissipation by…
Over the past few decades, thin-film optoelectronic devices have shown significant advancements. Light-emitting diodes (LEDs) based on organic materials, polymers, quantum dots, as well as metal halide perovskites have achieved remarkable…
Magnetoelastic coupling in van der Waals (vdW) magnetic materials enables a unique interplay between the spin and lattice degrees of freedom. Characterizing the elastic responses with atomic and femtosecond resolution across the magnetic…