Related papers: Quantum Size Effects in Pb/Si(111) Thin Films from…
The in-plane effective mass of quantum well states in thin Pb films on a Bi reconstructed Si(111) surface is studied by angle-resolved photoemission spectroscopy. It is found that this effective mass is a factor of three lower than the…
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…
First principles linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) electronic structure calculations are used to study thickness dependencies in the surface energies and work functions of ultra-thin (111) films of…
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 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…
A theoretical study of the surface energy-loss function of freestanding Pb(111) thin films is presented, starting from the single monolayer case. The calculations are carried applying the linear response theory, with inclusion of the…
Quantum-confined electronic states such as quantum-well states (QWS) inside thin Pb(111) films and modified image-potential states (IPS) above the Pb(111) films grown on Si(111)7$\times$7 substrate were studied by means of low-temperature…
We present a new nonempirical density functional generalized gradient approximation (GGA) that gives significant improvements for lattice constants, crystal structures, and metal surface energies over the most popular Perdew-Burke-Ernzerhof…
Thin PbTe films (thickness 500 - 600 angstrom), deposited on SrTiO3, have been investigated by electric field effect (EFE). The high resistivity of such thin films warrants a high sensitivity of the EFE method. The SrTiO3 substrate serves…
Atomically thin films of Pb on Si(111) provide an experimentally tunable system comprising a highly structured electronic density of states. The lifetime of excited electrons in these states is limited by both electron-electron (e-e) and…
We analyze topographic scanning force microscopy images together with Kelvin probe images obtained on Pb islands and on the wetting layer on Si(111) for variable annealing times. Within the wetting layer we observe negatively charged…
Eleven density functionals are compared with regard to their performance for the lattice constants of solids. We consider standard functionals, such as the local-density approximation and the Perdew-Burke-Ernzerhof (PBE)…
The substrate lattice structure may have a considerable influence on the formation of quantum well states in a metal overlayer material. Here we study three model systems using angle resolved photoemission and low energy electron…
The spatial distribution of the differential conductance for ultrathin Pb films grown on Si(111)7x7 substrate is studied by means of low-temperature scanning tunneling microscopy and spectroscopy. The formation of the quantum--confined…
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…
Single layer Pb on top of (111) surfaces of group IV semiconductors hosts charge density wave and superconductivity depending on the coverage and on the substrate. These systems are normally considered to be experimental realizations of…
When the dimension of a solid structure is reduced, there will be two emerging effects, quantum confinement and surface effect, which dominate at nanoscale. Based on first-principles calculations, we demonstrate that due to an intriguing…
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…
A Rashba type spin-orbit splitting is found for quantum well states formed in ultrathin Pb films on Si(111). The resulting momentum splitting is comparable to what is found for semiconductor heterostructures. The splitting shows no coverage…
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…