Materials Science
Understanding the interplay between magnetic ordering and light emission is crucial for developing magneto-optical technologies. However, this phenomenon is poorly understood since observations of this coupling vary significantly across…
This study reports on the optical, structural, and dielectric properties of aluminum tantalum oxide (Al$_x$Ta$_y$O$_z$) thin films deposited at low temperature on silicon and steel substrates by pulsed direct current reactive magnetron…
Conventionally, dc fields are used for switching dipole orientations in ferroelectrics. Such fields tilt the potential surface experienced by domain walls and thereby lower activation energies for their movement: escape from tilted…
Supported metal in the form of single atoms, clusters, and particles can individually or jointly affect the activity of supported heterogeneous catalysts. While the individual contribution of supported metal to the overall activity of…
The combinatorial approach applied to functional oxides has enabled the production of material libraries that formally contain infinite compositions. A complete ternary diagram can be obtained by pulsed laser deposition (PLD) on 100 mm…
We review the conditions that cause or prohibit non-relativistic spin splitting of the energy bands in antiferromagnets. We propose that the existence of spin splitting in magnetically ordered systems is the default scenario and outline the…
We establish that ultralow lattice thermal conductivity in halide perovskites and related octahedral framework materials arises from two distinct and complementary mechanisms: (i) halogen-halogen-enabled rotational soft modes that reshape…
The electronic band structure of Na$_{2}$KSb was studied by a combination of low-energy photoemission spectroscopy and density functional theory (DFT) calculations. The optical and photoemission quantum efficiency (QE) spectra, along with…
Several factors may be responsible for disorder and frustration in a magnetic nanoparticle, including atomic vacancies on the surface and inside, impurity atoms, long-range magnetic exchange coupling, etc. We use Monte-Carlo simulations…
X-ray absorption near-edge structure (XANES) provides element-specific insight into local electronic and structural environments, but quantitative interpretation of molecular XANES under periodic boundary conditions (PBC) remains…
Allegro is a machine learning interatomic potential (MLIP) model designed to predict atomic properties in molecules using E(3) equivariant neural networks. When training this model, there tends to be a trade-off between accuracy and…
Achieving atomic precision in top-down manufacturing remains a fundamental challenge nanofabrication technology. Here, the focused electron beam of a scanning transmission electron microscope is used to demonstrate atomically precise…
Plastic flow in body-centered cubic (BCC) metals and dilute/concentrated alloys is governed by the motion of <111> screw dislocations, whose glide is often impeded by cross-kinks (jogs). While existing strengthening models typically treat…
Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…
The development of efficient hydrogen storage materials is crucial for advancing the hydrogen economy and meeting the U.S. Department of Energy's targets of 6.5 wt% and 50 g H<sub>2</sub>/L for automotive applications. We present a…
MnTe has recently attracted exceptional attention due to its well-established altermagnetism, prompting a thorough reexamination of its properties. In particular, it was found that a Raman-active excitation at ~175 cm$^{-1}$, routinely…
We demonstrate control of helimagnetic order in biaxially strained SrFeO3 thin films using neutron diffraction and resonant soft x-ray scattering. SrFeO3, a negative charge-transfer oxide, exhibits a complex magnetic phase diagram that…
Topological materials hold immense promise for exhibiting exotic quantum phenomena, yet achieving controllable topological phase transitions remains challenging. Here, we demonstrate a structurally driven, reversible topological phase…
Combinatorial sputtering is a physical vapor deposition method that enables the high-throughput synthesis of compositionally varied thin films. Using this technique, the effects of stoichiometry on specific properties of alloy thin films…
This paper presents the first thermodynamic assessment of binary and pseudo-binary phase diagrams in the Ba--La--S and Ga--La--S systems by means of the CALPHAD method. Experimental phase diagram equilibrium data and thermodynamic…