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|Type:||Artigo de periódico|
|Title:||Structure And Magnetism Of Hybrid Fe And Co Nanoclusters Up To N ≤ 7 Atoms|
da Silva E.Z.
|Abstract:||The structural and magnetic properties of small gas-phase Fe m Co n clusters with m + n ranging between 2 and 7 atoms are investigated using spin-polarized density functional theory. For a given cluster size possible compositions are subject to optimization using a variety of initial structures. The geometry, bond lengths, binding energies and magnetization are reported for the lowest energy structures. The results show that a magnetization peak occurs for Fe 4, while for hybrid clusters, switching a cobalt atom with an iron atom increases the cluster's total magnetization by 1 μ B. Our structural predictions are generally in agreement with other theoretical results; the origin of the discrepancies arising in some cases is discussed. © 2012 Springer Science+Business Media, LLC.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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