Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/101749
Type: Artigo de periódico
Title: Interaction Of As Impurities With 30° Partial Dislocations In Si: An Ab Initio Investigation
Author: Antonelli A.
Justo J.F.
Fazzio A.
Abstract: We investigated through ab initio total energy calculations the interaction of arsenic impurities with the core of a 30° 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. © 2002 American Institute of Physics.
Editor: 
Rights: aberto
Identifier DOI: 10.1063/1.1466877
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-0036573142&partnerID=40&md5=7f2b45b19bc57617fa088b63cce6d673
Date Issue: 2002
Appears in Collections:Unicamp - Artigos e Outros Documentos

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