Cu cluster shell structure at elevated temperatures

O. B. Christensen, K. W. Jacobsen, J. K. Nørskov, and M. Manninen
Phys. Rev. Lett. 66, 2219 – Published 29 April 1991
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Abstract

Equilibrium structures of small (3–29)-atom Cu clusters are determined by simulated annealing, and finite-temperature ensembles are simulated by Monte Carlo techniques using the effective-medium theory for the energy calculation. Clusters with 8, 18, and 20 atoms are found to be particularly stable. The equilibrium geometrical structures are determined and found to be determined by a Jahn-Teller distortion, which is found to affect the geometry also at high temperatures. The ‘‘magic’’ clusters retain their large stability even at elevated temperatures.

  • Received 21 December 1990

DOI:https://doi.org/10.1103/PhysRevLett.66.2219

©1991 American Physical Society

Authors & Affiliations

O. B. Christensen, K. W. Jacobsen, and J. K. Nørskov

  • Laboratory of Applied Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark

M. Manninen

  • Department of Physics, University of Jyväskylä, SF-40100 Jyväskylä, Finland

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Vol. 66, Iss. 17 — 29 April 1991

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