材料科学
Thin-film Mn$_5$Si$_3$ is one of the most studied altermagnetic candidates thanks to its metallicity, demonstrated anomalous transport properties, and assumed $d$-wave exchange splitting pattern enabling spin-polarized transport and various…
Transition metal borides are attracting increasing interest due to their unique properties. They are not only characterised by very high hardness, but also considerable chemical and thermal stability. Silver, on the other hand, is a good…
Thermal transport in dielectric, non-magnetic crystals is mediated by quantized lattice vibrations, which drift and interact when driven out of equilibrium by a temperature gradient. This phenomenon can be described at multiple theoretical…
Room-temperature spin-optoelectronic devices require a combination of robust ferromagnetism and giant exciton binding, a pairing mutually exclusive in conventional semiconductors due to magnetic localization that screens excitons.…
The ability to control chirality in halide perovskites offers new opportunities for circularly polarized photonics, spin-selective electronics, and quantum information technologies. Chirality in halide perovskites is commonly achieved…
Boronization, where boron is deposited onto tungsten surfaces, is a key technique to reduce plasma contamination, such as oxygen in Tokamak fusion reactors. The exact interaction between the boron atoms and the tungsten surface, and the…
Molecular orientation within ultrathin films is a critical factor in controlling their optical and electronic properties for surface-based photonics and optoelectronics. In this study, we examine two amphiphilic boron-dipyrromethene…
Spin-current vorticity (SCV) can generate the linear magnetic spin Hall effect [\href{https://doi.org/10.1038/s41586-018-0853-0}{Nature \textbf{565}, 627 (2019)}], yet its role in nonlinear spin Hall transport has been much less explored.…
We investigate how silicon vacancies modify the elastic response and mechanical stability of cubic 3C-SiC. Our approach employs path-integral molecular dynamics simulations, including the classical-nuclei limit, based on an efficient…
We show from first principles that the altermagnet {\alpha}-MnTe reconstructs its magnetic order at the (0001) surface, into a stacking with a ferromagnetic outermost Mn bilayer that is lower in energy than the bulk-continued one. The clean…
In this study, we investigate the two-dimensional copper boride, Cu$_8$B$_{14}$, as a possible anode material for lithium-ion batteries using first-principles calculations. We found that the structural integrity of the monolayer was…
Metal surfaces undergo structural, compositional, and morphological changes in response to their chemical environment. Tuning the surfaces' function and stability for a given application correspondingly necessitates an understanding of how…
The remarkable optoelectronic properties of metal halide perovskites are closely linked to their unusually soft and polar chemical bonds that enable both strong electron-phonon interactions and ion migration. Yet these two defining…
Electronic excitation induced by nuclear motion is a key energy dissipation channel in chemical dynamics at metal surfaces. Here, nonadiabatic effects can be treated via molecular dynamics with electronic friction, where they act as…
Erbium ion is among the most promising solid-state single photon emitters and spin-photon interfaces for quantum networks, emitting directly in the telecom C-band in many host semiconductors. Recently, the search for scalable, low-noise…
Morphology transfer of 2D Janus MXenes into nanoscrolls unlocks unusual properties. Although a scalable synthesis route has been experimentally verified, the atomistic mechanism underlying nanoscroll formation remains poorly understood. We…
Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is widely used for local chemical investigations across a broad range of materials and systems. However, its operation is expensive in expert time: a trained researcher must…
Breaking the conventional stereotype that ferroelectrics are necessarily insulating, two-dimensional (2D) ferroelectric metals combine seemingly incompatible switchable electric polarization and metallic conductivity, providing a fertile…
Routing light at the nanoscale typically relies on nanostructured surfaces to imprint directionality on the emission. Using low-temperature, angle-resolved cathodoluminescence spectroscopy, we show that the intrinsic excitonic transitions…
Low-grade waste heat below 100 degC is one of the largest untapped opportunities in solid-state energy conversion. Three ferroic routes are candidates for recovering this resource: thermomagnetic, pyroelectric, and thermoelastic harvesters.…