Berlin 2005 – wissenschaftliches Programm

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O: Oberflächenphysik

O 19: Nanostrukturen II

O 19.3: Vortrag

Samstag, 5. März 2005, 11:15–11:30, TU EB420

Ab initio study of vicinal surfaces: electronic confinement, magnetic wires and adsorbate interactions — •A.L. Klavsyuk¹, V.S. Stepanyuk¹, W. Hergert², and P. Bruno¹ — ¹Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, 06120 Halle, Germany — ²Fachbereich Physik, Martin-Luther-Universität, Halle-Wittenberg, Friedemann-Bach-Platz 6, D-06099 Halle, Germany

Electronic structure of Cu(554) is studied using the density functional theory and the SKKR Green’s function method. The band dispersion is presented. We compare our results for Cu(554) and Cu(111). The confinement of surface-state electrons near steps is discussed. The short and long-range electronic interactions between magnetic adatoms near steps and on the terrace are calculated. The effect of the electronic confinement on the adsorbate-adsorbate interaction is demonstrated. We study the influence of the decoration of step edges with Fe monoatomic rows on the behavior of surface-state electrons confined between regularly arranged steps. Confinement of unoccupied states in monoatomic chains is discussed. The atomic relaxations near steps on Cu(554) and Fe/Cu(554) are determined performing atomic-scale simulations with the ab initio based interatomic potentials.