Recent experiments have shown that Si nanostructures can be formed in a matrix Of SiO2 by laser-pulse irradiation, with appealing applications in nanotechnology. We hereby present first principles simulations that provide a microscopic insight into the underlying mechanism, showing how electron excitations weaken Si-O bonds in SiO2, dislodging O atoms and allowing the formation of stable Si-Si structures below the melting temperature. (c) 2006 Elsevier B.V. All rights reserved.
First-principle molecular dynamics study of bond disruption and formation in SiO2 upon irradiation
SILVESTRELLI, PIER LUIGI;
2006
Abstract
Recent experiments have shown that Si nanostructures can be formed in a matrix Of SiO2 by laser-pulse irradiation, with appealing applications in nanotechnology. We hereby present first principles simulations that provide a microscopic insight into the underlying mechanism, showing how electron excitations weaken Si-O bonds in SiO2, dislodging O atoms and allowing the formation of stable Si-Si structures below the melting temperature. (c) 2006 Elsevier B.V. All rights reserved.
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