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O: Fachverband Oberflächenphysik
O 35: Poster Session II (Polymeric biomolecular films; Nanostructures; Electronic structure; Spin-orbit interaction; Phase transitions; Surface chemical reactions; Heterogeneous catalysis; Particles and clusters; Surface magnetism; Electron and spin dynamics; Surface dynamics; Methods; Electronic structure theory; Functional molecules)
O 35.38: Poster
Dienstag, 27. März 2012, 18:15–21:45, Poster B
Electronic spectrum of pure and doped Si(111)-(2x1) surfaces — •M. Pötter1, M. Rohlfing1, K. Löser2, M. Wenderoth2, T.K.A. Spaeth2, J.K. Garleff2, and R.G. Ulbrich2 — 1Fachbereich Physik, Universität Osnabrück — 2IV. Physikalisches Institut, Universität Göttingen
We discuss the electronic structure of the Pandey-chain terminated Si(111)-(2x1) surface, as resulting from density-functional theory and from the GW approximation of many-body perturbation theory. Our theoretical investigations are complemented by experimental scanning-tunneling microscopy and spectroscopy studies. We focus on two issues:
(i) The Pandey chain can be buckled in two possible configurations (positive and negative buckling). The corresponding electronic spectra show distinctively different fundamental gaps, that can be used to identify the buckling.
(ii) When Pandey-chain Si atoms are substituted by phosphorus (e.g. from n-type doping), the geometry and potential are modified, and the additional electron further changes the electronic structure of the system. We discuss the spatial and spectral signatures of this modification.