Excitonic and Local-Field Effects in Optical Spectra from Real-Space Time-Domain Calculations

W. G. Schmidt (), P. H. Hahn and F. Bechstedt
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W. G. Schmidt: Institut für Festkörpertheorie und Theoretische Optik Friedrich-Schiller-Universität, Computational Materials Science Group
P. H. Hahn: Institut für Festkörpertheorie und Theoretische Optik Friedrich-Schiller-Universität, Computational Materials Science Group
F. Bechstedt: Institut für Festkörpertheorie und Theoretische Optik Friedrich-Schiller-Universität, Computational Materials Science Group

A chapter in High Performance Computing in Science and Engineering ’02, 2003, pp 133-148 from Springer

Abstract: Abstract We present a novel approach to solve the Bethe-Salpeter equation for the polarisation function. Rather than from the usual eigenvalue representation, the macroscopic polarisability is obtained from the solution of an initial-value problem. This allows for the first time to calculate excitonic and local-field effects in optical spectra of large and complex systems such as surfaces. As an example we investigate the optical anisotropy of the hydrogen-passivated Si(ll0) surface. It is shown that the electron-hole attraction is largely responsible for the peculiar line shape of the surface optical spectrum.

Keywords: Optical Spectrum; Optical Anisotropy; Excitonic Effect; Local Field Effect; Reflectance Anisotropy (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59354-3_11

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DOI: 10.1007/978-3-642-59354-3_11

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