Electron scattering states at solid surfaces calculated with realistic potentials
摘要
Scattering states with LEED asymptotics are calculated for a general non-muffin tin potential, as e.g. for a pseudopotential with a suitable barrier and image potential part. The latter applies especially to the case of low lying conduction bands. The wave function is described with a reciprocal lattice representation parallel to the surface and a discretization of the real space perpendicular to the surface. The Schroedinger equation leads to a system of linear one-dimensional equations. The asymptotic boundary value problem is confined via the quantum transmitting boundary method to a finite interval. The solutions are obtained basing on a multigrid technique which yields a fast and reliable algorithm. The influence of the boundary conditions, the accuracy and the rate of convergence with several solvers are discussed. The resulting charge densities are investigated.
引用
@article{arxiv.cond-mat/9702118,
title = {Electron scattering states at solid surfaces calculated with realistic potentials},
author = {S. Lorenz and C. Solterbeck and W. Schattke and J. Burmeister and W. Hackbusch},
journal= {arXiv preprint arXiv:cond-mat/9702118},
year = {2009}
}
备注
5 pages, 4 figures, copyright and acknowledgment added, typos etc. corrected