Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/95108
Type: Artigo
Title: The energetics of dislocation cores in semiconductors and their role on dislocation mobility
Author: Justo, Joao F.
Antonelli, A.
Fazzio, A.
Abstract: We investigated core properties of dislocations in zinc-blende semiconductors using ab initio total energy calculations. The core reconstruction energy of partial dislocations was found to scale almost linearly with the experimental dislocation activation energy. The electronic band structure related to dislocation cores was also determined. In an unreconstructed core, the gap states comprise a half-filled one-dimensional band, which splits up in bonding and antibonding states upon reconstruction. The energy states which lie in the electronic gap come from the cores of 3/4 partials, while those related to ¿ partials remain resonant in the valence band. © 2001 Elsevier Science B.V.
We investigated core properties of dislocations in zinc-blende semiconductors using ab initio total energy calculations. The core reconstruction energy of partial dislocations was found to scale almost linearly with the experimental dislocation activation energy. The electronic band structure related to dislocation cores was also determined. In an unreconstructed core, the gap states comprise a half-filled one-dimensional band, which splits up in bonding and antibonding states upon reconstruction. The energy states which lie in the electronic gap come from the cores of β partials, while those related to a partials remain resonant in the valence band.
Subject: Cristais – Defeitos
Deslocamentos em cristais
Semicondutores
Silício
Falhas de empilhamento
Country: Holanda
Editor: Elsevier
Citation: Physica B: Condensed Matter. , v. 302-303, n. , p. 398 - 402, 2001.
Rights: fechado
Identifier DOI: 10.1016/S0921-4526(01)00461-6
Address: https://www.sciencedirect.com/science/article/pii/S0921452601004616
Date Issue: 2001
Appears in Collections:IFGW - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
2-s2.0-4243885567.pdf153.36 kBAdobe PDFView/Open


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