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Equilibrium Sizes of Jellium Metal Clusters in the Stabilized Spin‐Polarized Jellium Model
Author(s) -
Payami M.
Publication year - 2001
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(200105)225:1<77::aid-pssb77>3.0.co;2-k
Subject(s) - jellium , electron , spin (aerodynamics) , cluster (spacecraft) , context (archaeology) , atomic physics , chemistry , ionization , ion , physics , condensed matter physics , quantum mechanics , thermodynamics , paleontology , organic chemistry , biology , computer science , programming language
We have used the stabilized spin‐polarized jellium model to calculate the equilibrium sizes of metal clusters. Our self‐consistent calculations in the local spin‐density approximation show that for an N ‐electron cluster, equilibrium is achieved for a configuration in which the difference in the numbers of up‐spin and down‐spin electrons is zero or unity, depending on the total number of electrons. That is, a configuration in which the spins are maximally compensated. This maximum spin compensation results in both the alternation in the average distance between the nearest‐neighbor ions and the odd–even alternations in the ionization energies of alkali metal clusters, in good agreement with the molecular dynamics findings and the experiment. These suggest a realistic and more accurate method for calculating the properties of metal clusters in the context of jellium model than previous jellium model methods.