Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/75359
Type: Artigo de periódico
Title: Structure and Magnetism of Hybrid Fe and Co Nanoclusters up to N <= 7 Atoms
Author: Faccin, GM
da Silva, EZ
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 mu (B) . Our structural predictions are generally in agreement with other theoretical results; the origin of the discrepancies arising in some cases is discussed.
Subject: Iron nanoclusters
Cobalt nanoclusters
Magnetic moments
Country: EUA
Editor: Springer/plenum Publishers
Rights: fechado
Identifier DOI: 10.1007/s10876-012-0472-0
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

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