Related papers: On the origin of bulk-related anisotropies in surf…
We investigated the stable silicon (113) surface with a 3x2ADI reconstruction by ab-initio methods. The ground state properties have been obtained using the density-functional theory. We present the dispersion of the electronic band…
Intentional breaking of the lattice symmetry in solids is a key concept to alter the properties of materials by modifying their electronic band structure. However, the correlation of strain-induced effects and breaking of the lattice…
We present an ab initio study of neutral core and valence electronic excitations in {\alpha}-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an all-electron framework. Calculated spectra at the Al…
Topological insulators are bulk semiconductors that manifest in-gap massless Dirac surface states due to the topological bulk-boundary correspondence principle [1-3]. These surface states have been a subject of tremendous ongoing interest,…
The effects of oxygen adsorption on the reflectance anisotropy spectrum (RAS) of reconstructed Si(100):O surfaces at sub-monolayer coverage (first stages of oxidation) have been studied by an ab initio DFT-LDA scheme within a plane-wave,…
We investigate theoretically the resonant inelastic x-ray scattering (RIXS) at the $K$ edge of Si on the basis of an ab initio calculation. We calculate the RIXS spectra with systematically varying transfered-momenta, incident-photon energy…
Strain-engineering of materials encompasses significant elastic deformation and leads to breaking of the lattice symmetry and as a consequence to the emergence of optical anisotropy. However, the capability to image and map local strain…
To fully explore exciton-based applications and improve their performance, it is essential to understand the exciton behavior in anisotropic materials. Here, we investigate the optical properties of anisotropic excitons in GeS encapsulated…
The dependence of surface-enhanced Raman scattering (SERS) spectra on the precise axial position of the laser focus relative to a solid nanostructured substrate has received little to no attention in the literature. Here we show this…
We are able to disentagle the effects of the intraband and interband parts of the bulk dielectric function on the bare dielectric anisotropy of the surface. We show how the position, sign and amplitude of the structures observed in such…
The thermal noise of mirror coatings for gravitational-wave detectors critically depends on the elastic properties of the constituent materials. Data analyses and theoretical models typically assume each material is homogeneous and…
Impact collision ion scattering spectroscopy (ICISS), which is a variation of low energy ion scattering (LEIS) that employs large scattering angles, is performed on Bi2Se3 surfaces prepared by ion bombardment and annealing (IBA). ICISS…
Ion Beam Sputtering (IBS) is a cost-effective technique able to produce ordered nanopatterns on the surfaces of different materials. To date, most theoretical studies of this process have focused on systems which become amorphous under…
We investigate the surface Rashba effect for a surface of reduced in-plane symmetry. Formulating a k.p perturbation theory, we show that the Rashba splitting is anisotropic, in agreement with symmetry-based considerations. We show that the…
In electrochemistry, reactions and charge-transfer are to a large extent determined by the atomistic structure of the solid-liquid interface. Yet due to the presence of the liquid electrolyte, many surface-science methods cannot be applied…
Over the past two decades synchrotron facilities dedicated to the generation of x-rays for study of atoms, molecules and condensed matter have proliferated all over the world. As a result of the special properties of x-rays produced by…
Black arsenic (BAs) is a van der Waals layered material with a puckered honeycomb structure and has received increased interest due to its anisotropic properties and promising performance in devices. Here, crystalline structure,…
The contact of water with semiconductors typically changes its surface electronic structure by oxidation or corrosion processes. A detailed knowledge - or even control of - the surface structure is highly desirable, as it impacts the…
We prove, by realistic microscopic calculations within the sp^3s^* Tight Binding method for GaAs (110) and (100), that the surface optical properties are not influenced by long-range crystal termination effects, and hence that they can be…
We present results from Inverse photoemission spectroscopy in the isochromat mode, with angular resolution, from the clean Au(113) surface. To identify the origin of the different resonances we have performed first principles calculations…