Münster 1997 – wissenschaftliches Programm
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O: Oberflächenphysik
O 22: POSTER II
O 22.14: Poster
Mittwoch, 19. März 1997, 14:15–15:45, AULA
Photoemission final states with realistic surface potentials — •S. Lorenz1, C.-H. Solterbeck1, O. Tiedje1, W. Schattke1, J. Burmeister2, and W. Hackbusch2 — 1Institut für Theoretische Physik, Universität Kiel, 24098 Kiel — 2Mathematisches Seminar- Bereich 2, Universität Kiel, 24098 Kiel
Scattering states with LEED asymptotics are calculated for general non-muffin tin potentials, as e.g. for a pseudopotential with a suitable barrier and image potential part. The wave function is described with a reciprocal lattice representation parallel to the surface and a discretisation of the real space perpendicular to the surface. The Schrödinger equation leeds then 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 multigrid algorithms are discussed. The resulting wave functions and their densities are investigated and applied as final states in photoemission calculations within the one-step model.