Related papers: Schwoebel barriers on Si(111) steps and kinks
We suppose: (1) that the ground-state eigenvalue E = F(v) of the Schroedinger Hamiltonian H = -Delta + vf(x) in one dimension is known for all values of the coupling v > 0; and (2) that the potential shape can be expressed in the form f(x)…
We have carried out an ab-initio study of $\alpha$-Sn (111), with the aim of predicting and understanding its structure, reconstructions, and electronic states. We consider a variety of structural possibilities, and optimize them by moving…
We improve results by Frank, Hainzl, Naboko, and Seiringer [12] and Hainzl and Seiringer [20] on the weak coupling limit of eigenvalues for Schr\"odinger-type operators whose kinetic energy vanishes on a codimension one submanifold. The…
The step edge barrier of a prototypical organic semiconductor molecule, 3,4,9,10-perylene-tetracaboxylic-dianhydride (PTCDA) has been analysed by means of calculations based on emperical potentials. The minimum energy path (MEP) has been…
We embark on a quest to identify small molecules in the chemical space that can potentially violate Hund's rule. Utilizing twelve TDDFT approximations and the ADC(2) many-body method, we report the energies of S$_1$ and T$_1$ excited states…
We consider the motion of semiflexible polymers in double-well potentials. We calculate shape, energy, and effective diffusion constant of kink excitations, and in particular their dependence on the bending rigidity of the semiflexible…
We propose a new structural model for the Si(111)-(5x2)-Au reconstruction. The model incorporates a new experimental value of 0.6 monolayer for the coverage of gold atoms, equivalent to six gold atoms per 5x2 cell. Five main theoretical…
Graphene kinks are topological states of buckled graphene membranes. We show that when a moving kink encounters a constriction, there are three general classes of behavior: reflection, trapping, and transmission. Overall, constriction is…
By biasing a single barrier heterostructure with a 500nm-thick GaAs layer as the absorption layer, the spin dynamics for both of the first and second subband near the AlAs barrier are examined. We find that when simultaneously scanning the…
We evaluate, by means of variational calculations, the bound state energy E_B of a pair of charges located on the surface of a cylinder, interacting via Coulomb potential - e^2 / r . The trial wave function involves three variational…
Single-wall carbon nanotubes (SWNTs) are best known in their hollow cylindrical shapes, but the ground state of large-diameter tubes actually corresponds to a collapsed dumbbell-like structure, where the opposite sides of the nanotube wall…
We study the dynamics of one-dimensional bosons trapped in a box potential, in the presence of a barrier creating a tunable weak-link, thus realizing a one dimensional Bose Josephson junction. By varying the initial population imbalance and…
We consider a model describing the one-dimensional confinement of an exciton in a symmetrical, rectangular quantum-well structure and derive upper and lower bounds for the binding energy $E_b$ of the exciton. Based on these bounds, we study…
In Si(111) crystals, a strong biaxial tensile strain applied within the (111) plane is considered to shift the lowest energy point of the conduction band from the $\Delta$ valley to the L valley. Electrons confined in this L valley…
The vicinal Si(111) surface, inclined towards the [-1-12] direction, was investigated by scanning tunnelling microscopy and spot profile analysing low energy electron diffraction. It has been established that the surface, consisting of…
Using density-functional theory we investigate several properties of Al(111), Al(100), Al(110), and stepped Al(111) surfaces. We report results of formation energies of surfaces, steps, adatoms, and vacancies. For the adsorption and…
We discuss two different approaches for splitting the wavefunction of a single-particle-box (SPB) into two equal parts. Adiabatic insertion of a barrier in the center of a SPB in order to make two compartments which each have probability…
The surface energy, the one-particle distribution function of electrons, etc. of a semi-bounded metal within the framework of the semi-infinite jellium are calculated. The influence of the potential barrier height on these characteristics…
We show that the sphaleron energy which identifies with the (instanton) potential barrier for B-violation is reduced in the presence (background) of an electroweak Z-string. We also show that for large enough Higgs coupling, $\lambda$, the…
The vibrational and structural properties of a single-domain Si(001)-(2x1) surface upon ethylene adsorption have been studied by density functional cluster calculations and high-resolution electron energy loss spectroscopy. The detailed…