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)
Pagina inizio
  • 945 (literal)
Pagina fine
  • 949 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 376 (literal)
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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