P. Ziesche et al., SPHERICAL VOIDS AND CLUSTERS IN THE STABILIZED JELLIUM MODEL - SELF-CONSISTENT KOHN-SHAM CALCULATIONS, Journal of physics. Condensed matter, 5(49), 1993, pp. 9049-9058
The void formation energies in simple metals are calculated in the sta
bilized jellium model. The total energies of stabilized jellium sphere
s mimicking small clusters of simple metals are determined. The electr
onic structures are solved in both cases self-consistently within the
local density approximation for electron exchange and correlation. The
planar surface energies and the curvature energies are extracted from
the results. The stabilized jellium model is shown to give a physical
ly meaningful description of planar surfaces as well as surfaces with
positive or negative curvature. The results for voids and clusters are
discussed using the so-called liquid drop model and its generalizatio
n. They are used to estimate edge and step formation energies.