Structure and spin in small iron cluster
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P. Ballone; R.O. Jones
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Article
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1995
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Elsevier Science
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English
โ 528 KB
Density functional calculations have been performed for iron clusters with up to seven atoms. The electron-ion interaction is treated by a pseudopotential, and the large effect of core electrons on the spin configuration by modifying the exchange-correlation function. The scheme allows us to perform