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Dependence of metal surface properties on the valence-electron density in the s...
Brajczewska, M.; Henriques, C.; Fiolhais, C.The stabilized jellium model is the simplest model which yields realistic results for the physical properties of simple metals. For the surface properties, its single input is the valence-electron density, which is described by the density parameter rs. We remark that the surface energy and the work function as a function of rs, within that model, are reasonably approximated by power laws and compare that behav...
Volume shift and charge instability of simple-metal clusters
Brajczewska, M.; Vieira, A.; Fiolhais, C.Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of spherical clusters (neutral or ionized) of simple metals. Results from Kohn — Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also ex...
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