Materials Science
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered in stellar interiors and inertial confinement fusion…
Ab initio calculations were used to disentangle the mystery of Nakamura activation of p-type in Mg doped MOVPE grown gallium nitride, the key process leading to the 2014 Nobel Prize in Physics. Calculations were used to obtain the…
Optical absorption and reabsorption of light emitted from active regions in nitride laser diodes (LDs) have been shown to reduce the light extraction efficiency of these devices. It was proven that the presence of Si and Mg may considerably…
We generalize the classic N\'eel diagram for ferrimagnets within a mean-field framework and reveal a critical point at which full magnetic compensation is maintained below the Curie temperature and extends past the nominal compensation…
Interest in planar Hall effect (PHE) sensors has re-emerged in recent years due to their promising potential for a wide range of applications, particularly in biotechnology. Sensor sensitivity can be enhanced by lowering the effective…
Transport of spin angular momentum over large distance has been a long sought-after goal in the field of spintronics. While the majority of the research effort has been devoted to the spin transport properties of magnetically ordered…
Terahertz radiation pulses can be generated efficiently through femtosecond laser excitation of a ferromagnetic/nonmagnetic heterostructure, wherein an ultrafast laser-induced spin current results in an electromagnetic THz pulse due to…
Halide solid-state electrolytes have emerged as promising candidates for all-solid-state lithium batteries due to their high oxidative stability and deformability, yet their moderate ionic conductivity remains a bottleneck. While…
Photonic sintering (PS) offers an ultra-fast, contact-free alternative to conventional sintering and has demonstrated its potential for enhancing the sinterability of acceptor-doped barium zirconate (BZY) ceramics. However, a central…
Understanding water-metal interactions is central to disciplines spanning catalysis, electrochemistry, and atmospheric science. Monolayer ice phases are well established on hydrophilic surfaces, where strong water-substrate interactions…
The mechanical response of third-generation advanced high-strength steels is governed by phase transformations at the nanoscale, yet the coupled evolution of chemistry and crystallography remains poorly resolved. Here we apply a correlative…
Hydrogen uptake in brownmillerite perovskites A2B2O5 offers an (electro)chemically accessible route to tune functional properties, but mechanistic understanding and design rules for hydrogen-responsive oxides remain limited. Here we employ…
In this study, a new alternative model algorithm has been proposed for assembling amorphous structures, unifying the bosonic paradigm applicable at low temperatures with crystalline models relevant at room and higher temperatures. Physical…
We introduce an efficient first-principles framework for simulating angle-resolved photoemission spectroscopy (ARPES) based on the direct computation of photoelectron states as solutions of the Kohn-Sham equation with scattering boundary…
Innovation in biomaterials has brought both breakthroughs and new challenges in medicine, as implant materials have become increasingly multifunctional and complex. One of the greatest issues is the difficulty in assessing the temporal and…
Nitrogen, the most abundant element in Earth's atmosphere, exists as a diatomic gas under standard temperature and pressure. In the two-dimensional (2D) limit, atomically thin nitrogen, termed nitrogene, has been theoretically predicted to…
Lanthanide borates are widely studied for their optical and magnetic properties. A wide variety of structures are known with 3, 2, 1 and 0 dimensional connectivity of lanthanide ions. Here, we explore Mg$Ln$B$_5$O$_{10}$, with a quasi-1D…
Using first-principles density functional theory (DFT) combined with atomistic spin simulations, we explore the possibility of realizing zero-field isolated skyrmions in three 4$d$/Co atomic bilayers -- Rh/Co, Pd/Co, and Ru/Co -- grown on…
Domain walls in antiferromagnets under a spin-polarized current present dynamical behavior that is not observed in ferromagnets, and it is tunable by the current polarization. Precessional dynamics is obtained for perpendicular spin…
Lattice deformation is a powerful way to engineer the properties of two-dimensional (2D) materials, making their precise measurement an important challenge for both fundamental science and technological applications. Here, we demonstrate…