Structure and energetics of small iron clusters
β Scribed by Keitel Cervantes-Salguero, Jorge M. Seminario
- Book ID
- 118789962
- Publisher
- Springer-Verlag
- Year
- 2012
- Tongue
- English
- Weight
- 924 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1610-2940
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π SIMILAR VOLUMES
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
The structure and energetics of stoichiometric (NaCl)n, 1 ~< n ~< 4, clusters, and of halide-deficient clusters in the sequence Na4Clm, 0 ~< m ~< 3, are studied using local-spin-density functional calculations, with and without exchange-correlation gradient corrections. The energy optimized structur
The electronic structure of small iron clusters is probed with size-selected anion photoelectron spectroscopy. The photoelectron spectra for Fe~ to Fe~6 exhibit consistently sharp features near the threshold and their spectral changes correlate well with changes of their chemical reactivity. Extende