http://www.cnr.it/ontology/cnr/individuo/prodotto/ID266
First-principle molecular dynamics study of bond disruption and formation in SiO2 upon irradiation (Articolo in rivista)
- Type
- Label
- First-principle molecular dynamics study of bond disruption and formation in SiO2 upon irradiation (Articolo in rivista) (literal)
- Anno
- 2006-01-01T00:00:00+01:00 (literal)
- Alternative label
Boero, M; Oshiyama, A; Silvestrelli, PL; Murakami, K (2006)
First-principle molecular dynamics study of bond disruption and formation in SiO2 upon irradiation
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Boero, M; Oshiyama, A; Silvestrelli, PL; Murakami, K (literal)
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki 3058571, Japan; Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan; Univ Padua, Dipartimento Fis G Galilei, I-35131 Padua, Italy; DEMOCRITOS Natl Simulat Ctr, Trieste, Italy; Univ Tsukuba, Inst Appl Phys, Tsukuba, Ibaraki 3058573, Japan (literal)
- Titolo
- First-principle molecular dynamics study of bond disruption and formation in SiO2 upon irradiation (literal)
- 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. (literal)
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