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Type: Artigo de periódico
Title: Species Fractionation In Atomic Chains From Mechanically Stretched Alloys
Author: Alves Da Silva Autreto P.
Galvao D.S.
Artacho E.
Abstract: Bettini et al (2006 Nat. Nanotechnol. 1 182-5) reported the first experimental realization of linear atomic chains (LACs) composed of different atoms (Au and Ag). The different contents of Au and Ag were observed in the chains from what was found in the bulk alloys, which raises the question of what the wire composition is, if it is in equilibrium with a bulk alloy. In this work we address the thermodynamic driving force for species fractionation in LACs under tension, and we present the density-functional theory results for Ag-Au chain alloys. A pronounced stabilization of the wires with an alternating Ag-Au sequence is observed, which could be behind the experimentally observed Au enrichment in LACs from alloys with high Ag content.
Editor: Institute of Physics Publishing
Rights: fechado
Identifier DOI: 10.1088/0953-8984/26/43/435304
Date Issue: 2014
Appears in Collections:Unicamp - Artigos e Outros Documentos

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