dorsal/arxiv
View SchemaEquilibrium sizes of jellium metal clusters in the stabilized spin-polarized jellium model
| Authors | M. Payami |
|---|---|
| Categories | |
| ArXiv ID | physics/0102037 |
| URL | https://arxiv.org/abs/physics/0102037 |
| DOI | 10.1002/(SICI)1521-3951(200105)225:1<77::AID-PSSB77>3.3.CO;2-B |
| Journal | Phys. Stat. Sol. (b) 225, 77 (2001). |
Abstract
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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"abstract": "We have used the stabilized spin-polarized jellium model to calculate the\nequilibrium sizes of metal clusters. Our self-consistent calculations in the\nlocal spin-density approximation show that for an $N$-electron cluster, the\nequilibrium is achieved for a configuration in which the difference in the\nnumbers of up-spin and down-spin electrons is zero or unity, depending on the\ntotal number of electrons. That is, a configuration in which the spins are\nmaximally compensated. This maximum spin-compensation results in both the\nalternation in the average distance between the nearest neighbor ions and the\nodd-even alternations in the ionization energies of alkali metal clusters, in a\ngood agreement with the molecular dynamics findings and the experiment. These\nsuggest a realistic and more accurate method for calculating the properties of\nmetal clusters in the context of jellium model than previous jellium model\nmethods.",
"arxiv_id": "physics/0102037",
"authors": [
"M. Payami"
],
"categories": [
"physics.atm-clus",
"cond-mat"
],
"doi": "10.1002/(SICI)1521-3951(200105)225:1\u003c77::AID-PSSB77\u003e3.3.CO;2-B",
"journal_ref": "Phys. Stat. Sol. (b) 225, 77 (2001).",
"title": "Equilibrium sizes of jellium metal clusters in the stabilized spin-polarized jellium model",
"url": "https://arxiv.org/abs/physics/0102037"
},
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