Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/60355
Type: Artigo de periódico
Title: Interaction of As impurities with 30 degrees partial dislocations in Si: An ab initio investigation
Author: Antonelli, A
Justo, JF
Fazzio, A
Abstract: We investigated through ab initio total energy calculations the interaction of arsenic impurities with the core of a 30degrees partial dislocation in silicon. It was found that when an arsenic atom sits in a crystalline position near the dislocation core, there is charge transfer from the arsenic towards the dislocation core. As a result, the arsenic becomes positively charged and the core negatively charged. The results indicate that the structural changes around the impurity are very small in both environments, namely, the crystal and the dislocation core. In this scenario, the interaction between arsenic and the core is essentially electrostatic, which eventually leads to arsenic segregation. The segregation energy was found to be as large as 0.5 eV/atom. Additionally, it was found that arsenic pairing inside the core is not energetically favorable. (C) 2002 American Institute of Physics.
Country: EUA
Editor: Amer Inst Physics
Rights: aberto
Identifier DOI: 10.1063/1.1466877
Date Issue: 2002
Appears in Collections:Unicamp - Artigos e Outros Documentos

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