Physics – Atomic and Molecular Clusters
Scientific paper
2001-02-13
Phys. Stat. Sol. (b) 225, 77 (2001).
Physics
Atomic and Molecular Clusters
11 pages LaTex, 10 Postscript figures, to appear in Physica Status Solidi B 224 (3), (2001)
Scientific paper
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, the 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 a 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.
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