Materials Science
Silver interlayers have been shown to enable smooth lithium deposition and cycling in anode-free solid-state batteries. Here, we report the atomic structure of the Ag and Li interface, showing that Li preferentially plates as FCC on both…
We investigate the thermoelectric properties of two newly synthesized columnar double halide perovskites Cs$_2$AgPdCl$_5$ and Cs$_2$AgPtCl$_5$. These materials accommodate a distorted local polyhedral architecture with tetrahedral symmetry…
Homogeneous in-plane biaxial tensile strain strengthens the out-of-plane van der Waals interaction in \MoS\ bilayers (BLs) and can be used to fine-tune their terahertz (THz) oscillations. Using ultralow-frequency Raman spectroscopy on…
Hybrid heterostructures combining transition metal dichalcogenides (TMDs) with light-harvesting dyes are promising materials for next-generation optoelectronics. Yet, controlling and understanding interfacial charge transfer mechanisms in…
Coupled ionic and electronic transport underpins processes as diverse as electrochemical energy conversion, biological signaling, and soft adaptive electronics. Yet, how chemical environments such as pH modulate this coupling at the…
Hydrogen hydrates (HH) are a unique class of materials composed of hydrogen molecules confined within crystalline water frameworks. Among their multiple phases, the filled ice structures, particularly the cubic C2 phase, exhibit…
Knowing the phase transformations in dense water ice is key to unraveling the peculiar geophysical properties of Uranus and Neptune, whose stratified interior models predict a thick ice layer beneath a convective ionic fluid layer. In the…
Deorbitalization of a conventional meta-generalized-gradient exchange-correlation approximation replaces its dependence upon the Kohn-Sham kinetic energy density with a dependence on the density gradient and Laplacian. In principle, that…
We present a surrogate material model for generating microstructure samples reproducing the morphology of the real material. The generator is based on Gaussian random fields, with a Mat\'ern kernel and a topological support field defined…
Magnetic van der Waals materials are an important building block to realize spintronic functionalities in heterostructures of two-dimensional (2D) materials. Yet, establishing their magnetic and electronic properties and the…
Anisotropic skyrmion Hall effect (A-SkHE) in two-dimensional (2D) magnetic systems represents a captivating phenomenon in condensed-matter physics and materials science. While conventional antiferromagnetic systems inherently suppress this…
The incorporation of dilute concentrations of bismuth (Bi) into traditional III V alloys leads to significant reduction in bandgap energy, making InSbBi is a promising candidate for long wavelength infrared photodetection sensors due to its…
In ultrathin ferromagnetic films sandwiched between two distinct heavy metal layers or between a heavy metal and an oxide layer, the Dzyaloshinskii-Moriya interaction (DMI) is of interfacial origin. Its chirality and strength are determined…
The Ni-Au-Ga interdiffusion mechanisms taking place during rapid thermal annealing (RTA) under oxygen atmosphere of a Ni-Au/p-GaN contact are investigated by high-resolution transmission electron microscopy (HR-TEM) coupled to energy…
The inclusion of long-range electrostatics in atomistic machine learning (ML) is receiving increasing attention for achieving quantum-mechanical accuracy in predicting a wide range of molecular and material properties. However, there is…
The present work reports, for the first time, the growth of high-quality free-standing InAsSb nanoflags and their electronic properties. Different growth conditions have been explored, and zinc-blende InAsSb nanoflags of various composition…
Ultrawide-bandgap semiconductors are attractive for solar-blind ultraviolet (UV) detection owing to their intrinsically low noise and high spectral selectivity, yet their deployment in large-area, high-density electronic imaging systems…
In the present work, we experimentally realize CoVGe for the first time and investigate its structural, magnetic, and transport properties, supported by theoretical calculations. The material crystallizes in a cubic structure and exhibits a…
We present a curated dataset of planar displacement fields from eight fatigue crack growth experiments obtained via full-field digital image correlation (DIC). The dataset covers multiple aerospace-grade aluminium alloys, specimen…
Ionic crystals, such as solid electrolytes and complex oxides, are central to modern technologies for energy storage, sensing, actuation, and other functional applications. An important fundamental issue in the atomic and quantum-scale…