A. Kiejna et Vv. Pogosov, ON THE TEMPERATURE-DEPENDENCE OF THE IONIZATION-POTENTIAL OF SELF-COMPRESSED SOLID-METALLIC AND LIQUID-METALLIC CLUSTERS, Journal of physics. Condensed matter, 8(23), 1996, pp. 4245-4257
The density functional theory and sum-rule approach are used to calcul
ate the electronic chemical potential of large self-compressed metalli
c clusters in the stabilized-jellium model and the two-component model
that mimic the solid and the liquid state. The ionization potential i
s defined as the sum of the electronic chemical potential for a neutra
l cluster, and the ordinary electrostatic contribution r(2)/2R. Using
the analytic expressions derived, the temperature dependencies of the
work function and of the term connected with spontaneous deformation h
ave been estimated. The calculations show noticeable size-shrinkage co
ntributions to the ionization potential. In the two-component statisti
cal version of the density functional formalism, substantial changes i
nduced by a transition from cold clusters to the liquid state are obse
rved.