Regensburg 2004 – wissenschaftliches Programm

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O: Oberflächenphysik

O 17: Elektronische Struktur (Experiment und Theorie) II

O 17.8: Vortrag

Dienstag, 9. März 2004, 13:00–13:15, H36

Probing of bulk band edges with STM: An ab initio analysis — •A. Dick1,2, M. Hansmann2, J.I. Pascual2,3, G. Geballos2,4, H.-P. Rust2, K. Horn2, and J. Neugebauer11Universität Paderborn, Dekanat Physik, Warburger Straße 100, D-33098 Paderborn — 2Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin — 3Institut de Ci‘encia de Materials de Barcelona - CSIC, 08193 Bellaterra, Spain — 4Laboratorio Nazionale TASC-INFM, 34012 Trieste, Italy

The analysis of standing electronic waves at noble metal surfaces by scanning tunneling microscopy/spectroscopy (STM/STS) has given valuable insight into different surface properties such as, e.g., surface state lifetimes on free surfaces as well as artificial atomic structures. These studies, however, were mainly limited to surface states. We have therefore studied the electronic structure of the Ag(110) surface employing low temperature STS and density-functional theory. In the calculations atomic relaxation has been fully taken into account and the convergence of the slab thickness has been carefully checked. Based on these results a generalized Tersoff-Hamann theory [1] has been used to simulate STS spectra. A comparison of the experimental and theoretical spectra showed excellent agreement and clearly demonstrate that bulk states can be probed in STS.

[1] A.Selloni et al., Phys. Rev. B 31, 2602 (1985)

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