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Spectroscopic manifestations of phase changes in CaArn clusters: finite size effects

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Abstract.

The finite temperature optical spectroscopy of CaArn clusters in the range 6 ≤ n ≤ 146 is investigated using a Diatomics-In-Molecule (DIM) Hamiltonian and classical parallel tempering Monte Carlo simulations. The absorption spectrum is calculated in the vertical approximation at various temperatures between 2 K and 50 K. Several typical situations are reported. CaAr6 shows a strong thermal broadening and shift of the spectral lines, possibly associated with isomerization. CaAr13 only shows some broadening. CaAr37 exhibits features corresponding to coexisting isomers at low temperature. Finally, the abrupt changes in the absorption spectrum in CaAr146 at about 20 K are indicative of surface diffusion.

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Authors and Affiliations

  1. Laboratoire de Physique Quantique, UMR 5626, CNRS, IRSAMC, Université Paul Sabatier, 118 route de Narbonne, 31062, Toulouse Cedex, France

    F. Calvo & F. Spiegelman

  2. Laboratoire Francis Perrin, CNRS-URA-2453, CEA/DRECAM/Service des Photons, Atomes et Molécules, CEN Saclay, 91191, Gif-sur-Yvette Cedex, France

    M. A. Gaveau, M. Briant, P. R. Fournier, J. M. Mestdagh & J. P. Visticot

Authors
  1. F. Calvo
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  2. F. Spiegelman
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  3. M. A. Gaveau
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  4. M. Briant
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  5. P. R. Fournier
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  6. J. M. Mestdagh
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  7. J. P. Visticot
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Correspondence to F. Calvo.

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Calvo, F., Spiegelman, F., Gaveau, M.A. et al. Spectroscopic manifestations of phase changes in CaArn clusters: finite size effects. Eur. Phys. J. D 24, 215–218 (2003). https://doi.org/10.1140/epjd/e2003-00149-x

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  • DOI: https://doi.org/10.1140/epjd/e2003-00149-x

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