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Type: Artigo de evento
Title: The Energetics Of Dislocation Cores In Semiconductors And Their Role On Dislocation Mobility
Author: Justo J.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.
Rights: fechado
Identifier DOI: 10.1016/S0921-4526(01)00461-6
Date Issue: 2001
Appears in Collections:Unicamp - Artigos e Outros Documentos

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