Temperature dependence of supershells in large sodium clusters

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Abstract
We present self-consistent calculations of the electronic shell and supershell structure of sodium clusters with up to N∼1600 atoms at finite temperatures and N∼2800 at zero temperature, employing the spherical jellium model in the local-density approximation and numerically solving the Kohn-Sham equations. The finite temperature of the valence electrons is included by treating them as a canonical subsystem embedded in the heat bath of the ions. We present sensitive quantities for the effects of temperature and self-consistency on the supershell structure, and compare our results with recent experiments and former calculations based on phenomenological mean-field potentials.