Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/107191
Type: Artigo
Title: Dislocation core reconstruction in zinc-blende semiconductors
Author: Justo, J. F.
Fazzio, A.
Antonelli, A.
Abstract: Using ab initio total-energy calculations, we computed core reconstruction energies of partial dislocations in zinc-blende semiconductors. The reconstruction energy of 30° partials was found to scale almost linearly with the experimental activation energy of 60° dislocations. The electronic structure of a dislocation shows that in an unreconstructed core, the gap states comprise a half-filled one-dimensional band, which splits up into bonding and antibonding states upon reconstruction. The energy states which lie in the electronic gap come from the core of β-partials, while those related to α-partials remain resonant in the valence band.
Using ab initio total-energy calculations, we computed core reconstruction energies of partial dislocations in zinc-blende semiconductors. The reconstruction energy of 30◦ partials was found to scale almost linearly with the experimental activation energy of 60◦ dislocations. The electronic structure of a dislocation shows that in an unreconstructed core, the gap states comprise a half-filled one-dimensional band, which splits up into bonding and antibonding states upon reconstruction. The energy states which lie in the electronic gap come from the core of β-partials, while those related to α-partials remain resonant in the valence band.
Subject: Deslocamentos em cristais
Silício
Falhas de empilhamento
Estrutura eletrônica
Country: Reino Unido
Editor: Institute of Physics Publishing
Citation: Journal Of Physics Condensed Matter. Iop, Bristol, United Kingdom, v. 12, n. 49, p. 10039 - 10044, 2000.
Rights: fechado
Identifier DOI: 10.1088/0953-8984/12/49/303
Address: http://iopscience.iop.org/article/10.1088/0953-8984/12/49/303
Date Issue: 2000
Appears in Collections:IFGW - Artigos e Outros Documentos

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