Related papers: Schwoebel barriers on Si(111) steps and kinks
Based on Weizs\"acker-Skyrme (WS4) mass model, the fission barriers of nuclei are systematically studied. Considering the shell corrections, the macroscopic deformation energy and a phenomenological residual correction, the fission barrier…
In the present study the interaction of a sine-Gordon kink with a localized inhomogeneity is considered. In the absence of dissipation, the inhomogeneity considered is found to impose a potential energy barrier. The motion of the kink for…
It is well-known that for usual Schroedinger operators weakly coupled bound states exist in dimensions one and two, whereas in higher dimensions the famous Cwikel-Lieb-Rozenblum bound holds. We show for a large class of Schr\"odinger-type…
We present an exact solution of a 1D model: a particle of incident energy $E$ colliding with a target which is a 1D harmonic ``solid slab'' with $N$ atoms in its ground state; the Hilbert space of the target is restricted to the ($N+1$)…
Reaction probabilities as a function of total angular momentum and the resulting reaction cross-sections for the collision of open shell S($^1$D) atoms with para-hydrogen have been calculated in the kinetic energy range 0.09--10 meV (1--120…
We report differences in adsorption and reaction energetics for ethylene on Si(001) with respect to different dangling bond configurations induced by hydrogen precoverage as obtained via density functional theory calculations. This can help…
Kink defects in the 90-degree partial dislocation in silicon are studied using a linear-scaling density-matrix technique. The asymmetric core reconstruction plays a crucial role, generating at least four distinct kink species as well as…
By using a Coulomb potential modified by the interaction between the magnetic moments of the electron and proton, we have calculated the energy levels of a hydrogen atom. We have obtained fine structure, hyperfine structure and the Lamb…
The experimental three-atom recombination coefficients of the atomic states $^{23}$Na$|F=1,m_F=-1>$, $^{87}$Rb$|F=1,m_F=-1>$ and $^{85}$Rb$|F=2,m_F=-2>$, together with the corresponding two-body scattering lengths, allow predictions of the…
Hybrid quantum/classical techniques can flexibly couple ab initio simulations to an empirical or elastic medium to model materials systems that cannot be contained in small periodic supercells. However, due to electronic non-locality a…
Consider a one dimensional quantum mechanical particle described by the Schroedinger equation on a closed curve of length $2\pi$. Assume that the potential is given by the square of the curve's curvature. We show that in this case the…
We investigate the electroweak phase transition (EWPT) within the inverted Type-I two-Higgs-doublet model, where the observed $125\,\text{GeV}$ Higgs boson is identified as the heavier \textit{CP}-even scalar $H$. Through a comprehensive…
This work provides a ground for a quantitative interpretation of experiments on step bunching during sublimation of crystals with a pronounced Ehrlich-Schwoebel (ES) barrier in the regime of weak desorption. A strong step bunching…
We present first-principles total-energy electronic-structure calculations that provide the microscopic mechanism of the Ag atom diffusion between the half unit cells (HUCs) on the Si(111)-(7x7) surface with and without the tip of the…
The 2D layer Green function scattering method is used to calculate the energy of surface states and resonances at Gamma-bar for Al(111) for both below and above the vacuum level. The surface barrier potential is represented by an empirical…
Systematic ensemble photoluminescence studies have been performed on type-I InP-quantum dots in Al0.20Ga0.80InP barriers, emitting at approximately 1.85 eV at 5 K. The influence of different barrier configurations as well as the…
A spatially-discrete sine-Gordon system with some novel features is described. There is a topological or Bogomol'nyi lower bound on the energy of a kink, and an explicit static kink which saturates this bound. There is no Peierls potential…
For a set of fcc metals our total energy calculations, based on many body potentials, show that activation barriers for lateral manipulation of an adatom at a step edge depend on the tip/substrate composition. Of the six homogeneous systems…
In this paper we develop a link between the atomic-level modeling of the glide of 1/2<111> screw dislocations at 0 K and the thermally activated motion of these dislocations via nucleation of pairs of kinks. For this purpose, we introduce…
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…