材料科学
Mixed-halide perovskites offer a route to enhance phase stability and modify optoelectronic properties. Here, we use large-scale molecular dynamics simulations with a reactive force field to investigate defects in…
Strong-coupling experiments based on magnons enable the exploration into on-chip demonstrations involving numerous long-lived excitations. Yttrium iron garnet (YIG) has been considered for decades as a gold standard material for magnonics…
Corrosion originates from atomistic reactions occurring at dynamic solid liquid interfaces however, direct experimental observation of these reactions has remained elusive due to the inability to preserve transient interfacial states during…
Previously reported neutron scattering investigations of the canonical relaxor ferroelectric perovskite oxide with a chemical formula Pb(Mg(1/3)Nb(2/3))O3 (PMN) are revisited in order to appreciate the role of the intrinsic bulk…
X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) are powerful probes of electronic structure owing to their chemical and orbital selectivity. For powder samples, however, interpreting RIXS spectral…
Landau level spectroscopy plays an important role in modern condensed-matter physics. In this technique, electrons in a solid are subjected to quantizing magnetic fields and probed experimentally, often through optical methods. Direct and…
X-ray photoelectron spectroscopy (XPS) is a widely used technique for chemical analysis of solid surfaces, sensitive to the chemical environments of atoms via core-level binding energy shifts. While modern instruments allow experimental…
Atomistic simulations generate large volumes of noisy structural data, yet extracting phase labels and continuous order parameters (OPs) in a robust and general manner remains challenging. Existing tools are often specialized to a limited…
Ferroelectric aluminum scandium nitride (Al1-xScxN, AlScN) offers CMOS-compatible integration but suffers from high coercive fields and leakage currents that hinder thickness scaling. Further reduction in thickness is essential for…
Quantitative low-energy electron diffraction [LEED $I(V)$ or LEED $I(E)$, the evaluation of diffraction intensities $I$ as a function of the electron energy] is a versatile technique for the study of surface structures. The technique is…
Reconstructing effective Hamiltonians of condensed matter systems directly from experimental data is challenging because of the intricate relationship between Hamiltonian parameters and observables. Here, we reconstruct an effective…
The mobility of both Fe and Ni atoms in ferromagnetic Fe$_x$Ni$_{1-x}$ alloys ($0.4 \leq x \leq 0.6$) is investigated within the framework of ab initio electronic structure calculations, using the nudged elastic band (NEB) method to…
NiI2 and NiBr2 are archetypal van der Waals (vdW) triangular-lattice multiferroics that host incommensurate helimagnetic order at the lowest temperatures and undergo a transition to collinear antiferromagnetic order upon heating. Focusing…
Solid-state platforms based on bosonic quasiparticles offer a compelling route toward on-chip quantum information technologies scalable to nanometer dimensions. Coherence time, a key figure of merit for any quantum system, is fundamentally…
Hydrogen synthesis is a clean, sustainable alternative to fossil fuel \cite{gals}. It has come of age: prototyping various aspects of hydrogen power are hot topics. In 9 out of 10 reactions, a solid catalyst is used. Here hydrogen…
Metal films and other geometries of nanoscale thickness, when exposed to laser irradiation, melt and evolve as fluids as long as their temperature is sufficiently high. This evolution often leads to pattern formation, which may be…
Accurate property characterization is a major bottleneck in materials design. While first-principles methods and task-specific machine-learning models have driven important progress, they remain fundamentally limited in scalability and…
Two-dimensional transition metal dichalcogenides (TMDCs) are promising materials for next-generation optoelectronic devices, yet their implementation is hindered by limited sample stability and challenges in forming reliable electrical…
Magnetic kagome metals provide a fertile platform for exploring unusual magnetotransport phenomena arising from the intricate interplay between electronic topology, electron correlations, and magnetic order. MgMn6Sn6 is a room-temperature…
We explore the ferroic properties of methylammonium lead iodide perovskite solar cells by Piezoresponse Force Microscopy (PFM). In vertical and horizontal PFM imaging, we find domains of alternating polarization with a width of 90 nm which…