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Phonons at hydrogen-terminated Si and diamond surfaces

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Festkörperprobleme 36

Part of the book series: Advances in Solid State Physics ((ASSP,volume 36))

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Abstract

A simple and intuitive picture of surface dynamical properties of hydrogen-terminated Si and diamond surfaces is presented on the basis of theoretical results obtained within a semi-empirical total energy approach. Surface phonons are calculated from the dynamical matrix of structure-optimized slab configurations for which atomic force constants are calculated in real space. We analyse the surface phonon modes for H:Si(111)−(1×1), H:C(111)−(1×1), and D:Si(111)−(1×1), as well as, for H:C(001)−(2×1) monohydride and 2H:C(001)−(1×1) dihydride with respect to their physical origin, their spatial localisation and polarisation properties. The theoretical results are found to be in excellent agreement with Helium atom scattering and high-resolution electron energy-loss spectroscopy data.

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Authors and Affiliations

  1. Institut für Theoretische Physik II-Festkörperphysik, Universität Münster, Wilhelm-Klemm-Str. 10, D-48149, Münster, Germany

    A. Mazur, B. Sandfort, V. Gräschus & J. Pollmann

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  1. A. Mazur
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  2. B. Sandfort
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  3. V. Gräschus
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  4. J. Pollmann
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Reinhard Helbig

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© 1997 Friedr. Vieweg & Sohn Verlagsgesellschaft mbH

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Mazur, A., Sandfort, B., Gräschus, V., Pollmann, J. (1997). Phonons at hydrogen-terminated Si and diamond surfaces. In: Helbig, R. (eds) Festkörperprobleme 36. Advances in Solid State Physics, vol 36. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0107673

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  • DOI: https://doi.org/10.1007/BFb0107673

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-528-08046-4

  • Online ISBN: 978-3-540-75332-2

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