Related papers: Embedding on to a one-dimensional crystal
A phenomenological model for the interface between trivial and topological two-dimensional insulators possessing the same band gap is presented. The model depends on three measurable parameters, the energy gap $E_g$, the Fermi velocity of…
The most critical limitation to the wide-scale use of classical molecular dynamics for alloy design is the availability of suitable interatomic potentials. In this work, we demonstrate a simple procedure to generate a library of accurate…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
A square lattice of mesoscopic resistors is considered. Each bond is modeled as a narrow waveguide, while junctions are sources of elastic scattering given by a scattering matrix \mathbf{S}. Symmetry and unitarity constraints are used in a…
The method reducing the solution of the Schroedinger equation for several types of power potentials to the solution of the eigenvalue problem for the infinite system of algebraic equations is developed. The finite truncation of this system…
The two-dimensional Schroedinger operator with a uniform magnetic field and a periodic zero-range potential is considered. For weak magnetic fields we reduce the spectral problem to the semiclassical analysis of one-dimensional Harper-like…
For the $S$ states of two-electron atoms, we introduce an exact and unique factorization of the internal eigenfunction in terms of a marginal amplitude, which depends functionally on the electron-nucleus distances $r_1$ and $r_2$, and a…
We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory…
Consider a two-dimensional domain shaped like a wire, not necessarily of uniform cross section. Let $V$ denote an electric potential driven by a voltage drop between the conducting surfaces of the wire. We consider the operator ${\mathcal…
We consider the Schr\"odinger operator on nanoribbons (tight-binding models) in an external electric potentials $V$. The corresponding electric field is perpendicular to the axis of the nanoribbon. If V=0, then the spectrum of the…
Explicitly Correlated Gaussian basis is used to calculate the energies and wave functions of one dimensional few-electron systems in confinement potentials created by external potentials or coupling to light in cavity. The appearance and…
We extend a result on dispersion for solutions of the linear Schr\"odinger equation, proved by Firsova for operators with finitely many energy bands only, to the case of smooth potentials in 1D with infinitely many bands. The proof consists…
This paper is about the scattering theory for one-dimensional matrix Schr\"odinger operators with a matrix potential having a finite first moment. The transmission coefficients are analytically continued and extended to the band edges. An…
We study the radial Schroedinger equation for a particle in the field of a singular inverse square attractive potential. This potential is relevant to the fabrication of nanoscale atom optical devices, is said to be the potential describing…
We study the properties of the quantum states in the one-dimensional system with a shifted periodic potential in both the discrete model and the continuous model. With open boundary conditions, the edge states appear in the energy gaps…
We utilize the amenability of the Fermi-type potential profile in Schr{\"o}dinger equation to construct a symmetric one dimensional well as $V(x){=}{-}U_n/[1+\exp[(|x|{-}a)/b]], ~ U_n{=}V_n[1+\exp[-a/b]]$. We define $\alpha=a/b, ~\beta_n…
The emission spectrum of a dipole embedded in a semi-infinite photonic crystal is calculated. For simplicity we study the case in which the dielectric function is sinusoidally modulated only along the direction perpendicular to the boundary…
We present the exact diagonalization of the Schrodinger operator corresponding to a periodic potential with N deltas of different couplings, for arbitrary N. This basic structure can repeat itself an infinite number of times. Calculations…
We consider the one-dimensional Schroedinger equation on a ring, with the cubic term, of either self-attractive or repulsive sign, confined to a narrow segment. This setting can be realized in optics and Bose-Einstein condensates. For the…