Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/97297
Type: Artigo de periódico
Title: Structure And Magnetism Of Hybrid Fe And Co Nanoclusters Up To N ≤ 7 Atoms
Author: Faccin G.M.
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.
Editor: 
Rights: fechado
Identifier DOI: 10.1007/s10876-012-0472-0
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-84868365770&partnerID=40&md5=0a6ff01f4575efb0af5a6408033c17b8
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

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