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Interface structure and defects of silicon nanocrystals embedded into a-SiO(2) (Articolo in rivista)

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Label

Interface structure and defects of silicon nanocrystals embedded into a-SiO(2) (Articolo in rivista) (literal)

Anno

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Alternative label

Ippolito, M; Meloni, S; Colombo, L (2008)
Interface structure and defects of silicon nanocrystals embedded into a-SiO(2)
in Applied physics letters
(literal)

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\"[Ippolito, Mariella; Meloni, Simone] Consorzio Interuniv Applicaz Supercalcolo Univ Ri, I-00185 Rome, Italy; [Colombo, Luciano] Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, CA, Italy; [Colombo, Luciano] Cittadella Univ, Sardinian Lab Computat Mat Sci, SLACS, INFM CNR, I-09042 Monserrato, CA, Italy (literal)

Titolo

Interface structure and defects of silicon nanocrystals embedded into a-SiO(2) (literal)

Abstract

By means of large-scale atomistic simulations, we identity and characterize several kinds of bonding and coordination defects at the interface between a silicon nanoparticle and an embedding amorphous silicon dioxide matrix. In particular, we prove that interface bond defects are easily formed, while no Si-O double bond is observed. We conclude that optical properties, e.g., photoluminescence, are more likely due to such interface bond structures. Temperature effects on defect population and nature are discussed as well. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2999629] (literal)

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