Please use this identifier to cite or link to this item:
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
Citation: Journal Of Cluster Science. Springer/plenum Publishers, v. 23, n. 4, n. 953, n. 966, 2012.
Rights: fechado
Identifier DOI: 10.1007/s10876-012-0472-0
Date Issue: 2012
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
WOS000310470500001.pdf844.03 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.