Related papers: Quantum effects on the loss function of Pb(111) th…
The electronic properties of thin films present quantum-size effects, which are a consequence of the finite size of the system. Here we focus on the investigation of these effects on the electronic energy loss of charged particles moving…
We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(111) films…
The electronic properties of thin metallic films deviate from the corresponding bulk ones when the film thickness is comparable with the wavelength of the electrons at the Fermi level due to quantum size effects (QSE). QSE are expected to…
Quantum manifestations of various properties of metallic thin films by quantum size effect (QSE) have been studied intensively. Here, using first-principles calculations, we show quantum manifestation in dielectric properties of Al(111)…
We show from density-functional calculations that Pb(100) thin films exhibit quantum size effect with a bilayer periodicity in film energies, film relaxations, and work functions, which originate from different symmetry of the stacking…
First-principles calculations of Cu(001) free-standing thin films have been performed to investigate the oscillatory quantum size effects exhibited in surface energy, work function, atomic relaxation, and adsorption energy of the cesium…
Using first-principles calculations, we have systematically studied the quantum size effects of ultrathin Pb(111) films on the adsorption energies and diffusion energy barriers of oxygen atoms. For the on-surface adsorption of oxygen atoms…
We present a method for density-functional modeling of metallic overlayers grown on metallic supports. It offers a tool to study nanostructures and combines the power of self-consistent pseudopotential calculations with the simplicity of a…
We have carried out first-principles calculation of Mg(0001) free-standing thin films to study the oscillatory quantum size effect exhibited in the surface energy, work function, interlayer relaxation, and adsorption energy of the atomic…
Using first-principles calculations, we systematically study the dissociation of O$_2$ molecules on different ultrathin Pb(111) films. Based on our previous work revealing the molecular adsorption precursor states for O$_2$, we further…
The magnetoconductive properties of ultrathin Pb films deposited on Si(111) are measured and compared with density-functional electronic band-structure calculations on two-dimensional, free-standing, 1 to 8 monolayers thick Pb(111) slabs. A…
The reflectance difference (RD) as a function of film thickness was measured during Pb deposition on Si(111)-(6x6)Au surface at 105 K. The oblique incident s- and p-polarized light with energy range 0.25-0.60 eV was used. The component of…
We have carried out first-principles calculations of Be(0001) thin films to study the oscillatory quantum size effects exhibited in the surface energy, work function, and binding energy of the atomic hydrogen monolayer adsorption. The…
Morphological instability of a planar surface ([111], [011], or [001]) of an ultra-thin metal film is studied in a parameter space formed by three major effects (the quantum size effect, the surface energy anisotropy and the surface stress)…
Although free electron models have been established in order to capture the essential physics of interfacial and bulk properties in metals, some issues still remain regarding the application of free electron models to thin metal films. One…
We study strongly confined plasmons in ultrathin gold and silver films by simulating electron energy-loss spectroscopy (EELS). Plasmon dispersion relations are directly retrieved from the energy- and momentum-resolved loss probability under…
We examine thin films of two simple metals (aluminum and lithium) in the stabilized jellium model, a modification of the regular jellium model in which a constant potential is added inside the metal to stabilize the system for a given…
Electrons in image-potential states on the surface of bulk helium represent a unique model system of a two-dimensional electron gas. Here, we investigate their properties in the extreme case of reduced film thickness: a monolayer of helium…
It is shown that for thin metallic films thickness of which does not exceed thickness of skin layer, the problem allows analytical solution. In the field of resonant frequencies the analysis of dependence of coefficients of transmission,…
Electron energy loss spectroscopy (EELS) can be used to probe plasmon excitations in nanostructured materials with atomic-scale spatial resolution. For structures smaller than a few nanometers quantum effects are expected to be important,…