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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 35.16: Poster

Dienstag, 27. März 2012, 18:15–21:45, Poster B

Stability of In/Si(111)-(4x1) nanowires — •Martin Babilon, Stefan Wippermann, Uwe Gerstmann, and Wolf Gero Schmidt — Universität Paderborn, Germany

Quasi one-dimensional structures, such as artificial atomic-scale wires, have attracted considerable attention recently [1]. They do not only show fascinating physical properties, but also have a large technological potential, e.g., as atomic-scale interconnects. Highly anisotropic surface superstructures are suitable model systems to explore atomic-scale wires both experimentally and computationally. The In/Si(111)-(4x1) surface [2, 3] is probably the most intensively investigated system in this context.

In this work, we present first-principles calculations on the influence of relativistic effects affecting the stability of (4x1) and (8x2) surface. A reversible phase transition from the metallic Si(111)-(4x1)-In zigzag chain structure to an insulating (8x2) reconstruction below 125 K is observed [4]. Here, our goal is to investigate the influence of relativistic effects and the treatment of the In core electrons on the phase transition temperature.

[1] N. Nilius, T. M. Wallis and W. Ho, Science 297, 1853 (2002).

[2] O. Bunk et al., Phys. Rev. B 59, 12228 (1999).

[3] S. Wippermann, N. Koch, W. G. Schmidt, Phys. Rev. Lett. 100, 106802 (2008).

[4] A. A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W. G. Schmidt, Phys. Rev. Lett. 98, 026105 (2007).