Münster 1997 – wissenschaftliches Programm

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HL: Halbleiterphysik

HL 11: Poster I

HL 11.32: Poster

Montag, 17. März 1997, 15:30–18:30, Z

Ab initio calculation of the electronic structure and surface core-level shifts of the CdTe (001) surface — •A. Fleszar and W. Hanke — Institut für Theoretische Physik, Universität Würzburg, Am Hubland, D-97074 Würzburg

The electronic structure of the CdTe (001) surface is calculated within the local-density approximation, mixed-basis pseudopotential method and the periodic-slab geometry. We study the dependence of the surface-electronic structure on the termination and various surface reconstructions. In addition to the energy position and dispersion of the surface states and resonances, we calculate and compare with experiment [1] the surface core-level shifts.
Work supported by the DFG under the SFB 410.

[1] C.Heske, U.Winkler, G.Held, R.Fink, E.Umbach, Ch.Jung, P.R.Bressler, and Ch.Hellwig, to be published