Related papers: Quasiperiodic gallium adlayer on i-Al-Pd-Mn

The AlPdMn quasicrystal approximants xi, xi', and xi'_n of the 1.6 nm decagonal phase and R, T, and T_n of the 1.2 nm decagonal phase can be viewed as arrangements of cluster columns on two-dimensional tilings. We substitute the tiles by…

The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…

The layers of a high-temperature novel GaAs:Fe diluted magnetic semiconductor (DMS) with an average Fe content up to 20 at. % were grown on (001) i-GaAs substrates using a pulsed laser deposition in a vacuum. The transmission electron…

We developed new modified embedded-atom method (MEAM) interatomic potentials for the Mg-Al alloy system using a first-principles method based on density functional theory (DFT). The materials parameters, such as the cohesive energy,…

We present a joint experimental and theoretical determination of structures of Ag adatoms on the Ge(111) surface using low energy electron diffraction, low energy electron microscopy, scanning tunneling microscopy, and density functional…

The Circum-Galactic Medium (CGM) can be probed through the analysis of absorbing systems in the line-of-sight to bright background quasars. We present measurements of the metallicity of a new sample of 15 sub-damped Lyman-$\alpha$ absorbers…

The electronic and magnetic properties of a new diluted magnetic semiconductor (DMS) Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$, which is isostructural to so-called 122-type Fe-based superconductors, are investigated by x-ray…

Embedding quantum dots (QDs) on nanowire (NW) sidewalls allows the integration of multi-layers of QDs into the active region of radial p-i-n junctions to greatly enhance light emission/absorption. However, the surface curvature makes the…

The dependences of the maximum and the half-width of near band-edge photoluminescence of semi-insulating undoped GaAs crystals at 77K on the concentration of background acceptor impurities and the level of excitation in the range from…

CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the adsorbate-substrate complex have been calculated. Calculations…

A combination of the density functional theory and the single-site dynamical mean-field theory is employed to study the electronic structures of various allotropes of elemental curium (Cm-I, Cm-II, and Cm-III). We find that the 5$f$ valence…

Quasi free standing monolayer graphene (QFMLG) grown on SiC by selective Si evaporation from the Si-rich SiC(0001) face and H intercalation displays irregularities in STM and AFM analysis, appearing as localized features, which we…

Growth of GaMnAs by molecular beam epitaxy is typically performed at low substrate temperatures (250C) and high As overpressures leading to the incorporation of excess As and Mn interstitials, which quench optical signals such as…

Multilayer structures on the basis of n-type (In,Fe)Sb and p-type (Ga,Fe)Sb diluted magnetic semiconductors (DMS) along with separate (In,Fe)Sb and (Ga,Fe)Sb layers were fabricated on GaAs substrates by pulsed laser sputtering of InSb,…

We used our previously implemented GW approximation (GWA) based on the all-electron full-potential projector augmented wave (PAW) method to study the optical properties of small, medium and large-band-gap semiconductors: Si, GaAs, AlAs,…

GaN nanowires (NWs) grown by molecular beam epitaxy on Ti films sputtered on Al$_{2}$O$_{3}$ are studied by X-ray diffraction (XRD) and grazing incidence small-angle X-ray scattering (GISAXS). XRD, performed both in symmetric Bragg…

In this work, we have studied theoretically the effects of gold adsorption on the Al(001) surface, using {\it ab initio} pseudo-potential method in the framework of the density functional theory. Having found the hollow sites at the Al(001)…

X-ray absorption fine-structure (XAFS) measurements supported by {\em ab initio} computations within the density functional theory (DFT) are employed to systematically characterize Fe-doped as well as Fe and Si-co-doped films grown by…

Two-dimensional (2D) materials have attracted substantial attention in electronic and optoelectronic applications with superior advantages of being flexible, transparent and highly tunable. Gapless graphene exhibits ultra-broadband and fast…

We study the electronic structure of a spherical jellium in the presence of a central Gaussian impurity. We test how well the resulting inhomogeneity effects beyond spherical jellium are reproduced by several approximations of density…