2p core-level binding energies of size-selected free silicon clusters: Chemical shifts and cluster structure

M. Vogel, C. Kasigkeit, K. Hirsch, A. Langenberg, J. Rittmann, V. Zamudio-Bayer, A. Kulesza, R. Mitrić, T. Möller, B. v. Issendorff, and J. T. Lau
Phys. Rev. B 85, 195454 – Published 25 May 2012
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Abstract

The 2p core-level electron binding energies of size-selected silicon cluster ions have been determined from soft x-ray photoionization efficiency curves. Local chemical shifts and global charging energy contributions to the 2p binding energy can be separated, because core-level and valence-band electron binding energies exhibit the same inverse radius dependence. The experimental 2p binding energy distributions show characteristic size-specific patterns that are well reproduced by the corresponding electronic density of states obtained from density functional theory modeling. These results demonstrate that 2p binding energies in silicon clusters are dominated by initial state effects, i.e., by the interaction with the local valence electron density, and can thus be used to corroborate structural assignments.

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  • Received 23 March 2012

DOI:https://doi.org/10.1103/PhysRevB.85.195454

©2012 American Physical Society

Authors & Affiliations

M. Vogel1, C. Kasigkeit1,2, K. Hirsch1,2, A. Langenberg1,2, J. Rittmann1,2, V. Zamudio-Bayer1,2, A. Kulesza3, R. Mitrić3, T. Möller2, B. v. Issendorff4, and J. T. Lau1,*

  • 1Institut für Methoden und Instrumentierung der Forschung mit Synchrotronstrahlung, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Albert-Einstein-Straße 15, 12489 Berlin, Germany
  • 2Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin, Germany
  • 3Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany
  • 4Fakultät für Physik, Universität Freiburg, Stefan-Meier-Straße 21, 79104 Freiburg, Germany

  • *tobias.lau@helmholtz-berlin.de

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Issue

Vol. 85, Iss. 19 — 15 May 2012

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