Photoelectron Spectra and Geometric Structures of Small Niobium Cluster Anions

Hardy Kietzmann, J. Morenzin, Paul S. Bechthold, Gerd Ganteför, Wolfgang Eberhardt, Dong-Sheng Yang, Peter A. Hackett, René Fournier, Tao Pang, and Changfeng Chen
Phys. Rev. Lett. 77, 4528 – Published 25 November 1996
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Abstract

Photoelectron spectroscopy measurements and density functional theory calculations are combined to determine structures of Nbn ( n=38) clusters. A detailed comparison between observed and calculated electronic binding energies shows that the clusters have low-symmetry compact 3D structures and the lowest possible total spin, except for the three- and five-atom clusters which are in triplet states. We find evidence for the coexistence of two isomers of Nb8 under some experimental conditions. This approach shows great promise for structural characterization of small clusters.

  • Received 22 August 1996

DOI:https://doi.org/10.1103/PhysRevLett.77.4528

©1996 American Physical Society

Authors & Affiliations

Hardy Kietzmann1, J. Morenzin1, Paul S. Bechthold1, Gerd Ganteför1, Wolfgang Eberhardt1, Dong-Sheng Yang2, Peter A. Hackett2, René Fournier3, Tao Pang3, and Changfeng Chen3

  • 1Institut für Festkorperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany
  • 2Steacie Institute for Molecular Sciences, National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario, K1A 0R6, Canada
  • 3Department of Physics, University of Nevada, Las Vegas, Nevada 89154

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Vol. 77, Iss. 22 — 25 November 1996

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