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Shape phase-transitions in the absorption spectra of atomic clusters

Authors: J. M. Pacheco and W. D. Schöne

Ref.: Physical Review Letters 79, 4986-4989 (1997)

Abstract: A quantum-mechanical framework for calculating the photoabsorption cross section of atomic clusters, which explicitly includes the thermal motion of the ions, is proposed. We compute the photoabsorption cross section of Na 8 for ionic temperatures below and above melting. At equilibrium, the line shape of Na 8 is dominated by two peaks separeted by 200 meV. This structure is found to survive up to T = 100 K. With increasing temperatures, the cross section undergoes a shape phase transition such that, at T = 300 K, the double-peaK structure has change into a broad and asymmetric line shape dominated by a single peak, providing an excellent fit to the available experimental data.