相关论文: Quantum size effects in Pb islands on Cu(111): Ele…

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…

In this paper, we provide a comprehensive theoretical analysis of the electronic structure of InAs(111) surfaces with a special attention paid to the energy region close to the fundamental bandgap. Starting from the bulk electronic…

Colloidal two-dimensional lead chalcogenide nanocrystals represent an intriguing new class of materials that push the boundaries of quantum confinement by combining a crystal thickness down to the monolayer with confinement in the lateral…

To understand the electronic shell- and supershell-structure in large metal clusters we have performed self-consistent calculations in the homogeneous, spherical jellium model for a variety of different materials. A scaling analysis of the…

Parameter-free theoretical predictions based on a dual shell mechanism within the proxy-SU(3) symmetry of atomic nuclei, as well as covariant density functional theory calculations using the DDME2 functional indicate that shape coexistence…

We present a novel "linear combination of atomic orbitals"-type of approximation, enabling accurate electronic structure calculations for systems of up to 20 or more electronically coupled quantum dots. Using realistic single quantum dot…

We present an ab initio pseudopotential local density functional calculation for stoichiometric high-Tc cuprate YBa_2Cu_3O_7 using the plane-wave basis set. We have overcome well-known difficulties in applying pseudopotential methods to…

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…

The approximate representation of a quantum solid as an equivalent composite semi-classical solid is considered for insulating materials. The composite is comprised of point ions moving on a potential energy surface. In the classical bulk…

We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constants, and other relevant quantities by ab initio electronic…

Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve…

$\mathrm{CuO}$ atomic thin monolayer ($\mathrm{mlCuO}$) was synthesized recently. Interest in the $\mathrm{mlCuO}$ is based on its close relation to $\mathrm{CuO_2}$ layers in typical high temperature cuprate superconductors. Here, we…

Spherical shaped Si quantum dots (QDs) embedded into the SiO2 substrate are considered in the single sub-band effective mass approach. Nonparabolicity of the Si conduction band is described by the energy dependence of electron effective…

Morphology evolution and coarsening of metal nanoislands is computed within the framework of a surface diffusion-type model that includes the effects of the electron energy confinement within the film, the charge spillage at the…

We use ab initio pseudopotential total energy calculations with a plane wave basis set to investigate the structural energetics of various phases of polymorphic NbN. Particular attention is given to its recently discovered superconducting…

Perfluoropentacene (PFP), an $n$-type organic semiconductor, is deposited at monolayer and bilayer coverage on Cu(111). Scanning tunneling microscopy at various bias voltages is used to investigate the geometric and electronic structure of…

We show that efficient norm-conserving pseudopotentials for electronic structure calculations can be obtained from a polynomial Ansatz for the potential. Our pseudopotential is a polynomial of degree ten in the radial variable and fulfills…

Photodetachment of H$^-$ near a potential barrier is studied. A new formula is presented for the cross sections induced by a barrier. The new formula describes two quantum effects near barrier tops. For energies near and above barrier tops,…

Cluster dynamical mean field methods are used to calculate the normal and anomalous components of the electron self energy of the two dimensional Hubbard model. From these the evolution of the superconducting gap and the momentum dependent…