Related papers: An Atomistically Informed Device Engineering (AIDE…

Ferromagnetic insulators (FM-Is) are the materials of interest for new generation quantum electronic applications. Here, we have investigated the physical observables depicting FM-I ground states in epitaxial Sm$ _{2} $NiMnO$ _{6} $ (SNMO)…

The electron band structure of manganese-adsorbed graphene on an SiC(0001) substrate has been studied using angle-resolved photoemission spectroscopy. Upon introducing manganese atoms, the conduction band of graphene completely disappears…

Li$_{7-4x}$Ge$_x$La$_3$Zr$_2$O$_{12}$ has been synthesized using the conventional solid-state reaction method by substituting Germanium (Ge) at the Li site, which increases the Li-ion vacancies and leads to an increase in conductivity with…

Nanostructuring of graphene is in part motivated by the requirement to open a gap in the electronic band structure. In particular, a periodically perforated graphene sheet in the form of an antidot lattice may have such a gap. Such systems…

A two-dimensional (2D) electron gas formed in a modulation-doped GaAs/AlGaAs single quantum well undergoes a first-order transition when the first excited subband is occupied with electrons, as the Fermi level is tuned into resonance with…

Ab initio molecular-dynamics simulations have been used to investigate the structure, dynamics and electronic properties of the liquid alloy Ag(1-x)Se(x) at 1350 K and at the three compositions x=0.33, 0.42 and 0.65. The calculations are…

Feedback-controlled electromigration (FCE) enables precise regulation of atomic migration by carefully optimizing multiple experimental parameters. However, manually fine-tuning these parameters poses significant challenges. This study…

We report measurements and calculations on the properties of the intermetallic compound Be$_5$Pt. High-quality polycrystalline samples show a nearly constant temperature dependence of the electrical resistivity over a wide temperature…

Due to their high photovoltaic efficiency and low-cost synthesis, lead halide perovskites have attracted wide interest for application in new solar cell technologies. The most stable and efficient ABX$_3$ perovskite solar cells employ mixed…

This Good Practice Guide provides information for the realization of the farad from the quantum Hall resistance in graphene devices by using digital impedance bridges. The fabrication and characterization of graphene quantum Hall effect…

We propose an O(100)m Atom Interferometer (AI) experiment -- AICE -- to be installed against a wall of the PX46 access shaft to the LHC. This experiment would probe unexplored ranges of the possible couplings of bosonic ultralight dark…

The atomic and electronic structure of the p-type transparent amorphous semiconductor CuI is calculated by ab-initio molecular dynamics. It is found to consist of a random tetrahedrally bonded network. The hole effective mass is found to be…

We extend the ab initio molecular dynamics (AIMD) method based on density functional theory to the nonequilibrium situation where an electronic current is present in the electronic system. The dynamics is treated using the semi-classical…

Bond pads are the electrical interconnections of a microelectronic device to the outside world. A polyimide layer (PI) on top of a microelectronic device protects the whole device against environmental impacts. The bond pads are accessible…

Ion implantation is a non-equilibrium doping technique which introduces impurity atoms into a solid regardless of thermodynamic considerations. The formation of metastable alloys above the solubility limit, minimized contribution of lateral…

A set of Modified Embedded Atom Method (MEAM) potentials for the interactions between Al, Si, Mg, Cu, and Fe was developed from a combination of each element's MEAM potential in order to study metal alloying. Previously published MEAM…

Understanding degradation in battery cathodes and other functional materials requires simultaneous knowledge of structural, chemical, and electronic changes in three dimensions (3D). Here, we present a simultaneous ADF-EDS-EELS tomography…

Localized basis ab initio molecular dynamics simulation within the density functional framework has been used to generate realistic configurations of amorphous silicon carbide (a-SiC). Our approach consists of constructing a set of smart…

The immersed finite element-finite difference (IFED) method is a computational approach to modeling interactions between a fluid and an immersed structure. This method uses a finite element (FE) method to approximate the stresses and forces…

The discovery of superconducting electrides, characterized by interstitial anionic electrons (IAEs) residing in lattice cavities, has established a distinctive platform for investigating superconductors. Yet the superconducting origin and…