Characterization of amorphous In2O3: an ab initio molecular dynamics study (Articolo in rivista)

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Label
  • Characterization of amorphous In2O3: an ab initio molecular dynamics study (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.3664224 (literal)
Alternative label
  • Antonio Aliano, Alessandra Catellani, Giancarlo Cicero (2011)
    Characterization of amorphous In2O3: an ab initio molecular dynamics study
    in Applied physics letters (Online); American Institute Of Physics (AIP), Melville (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Antonio Aliano, Alessandra Catellani, Giancarlo Cicero (literal)
Pagina inizio
  • 211913-1 (literal)
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  • 99 (literal)
Rivista
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  • 3 (literal)
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  • 21 (literal)
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
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  • a Department of Physics, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy; b CNR-IMEM, Parco Area delle Scienze 37A, I-43010 Parma, Italy; c Materials Science and Chemical Engineering Department, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy (literal)
Titolo
  • Characterization of amorphous In2O3: an ab initio molecular dynamics study (literal)
Abstract
  • In this work, we report on the structural and electronic properties of amorphous In2O3 obtained with ab initio molecular dynamics. Our results show crystal-like short range InO6 polyhedra having average In-O distance consistent with x-ray spectroscopy data. Structural disorder yields band tailing and localized states, which are responsible of a strong reduction of the electronic gap. Most importantly, the appearance of a peculiar O-O bond imparts n-type character to the amorphous compound and provides contribution for interpreting spectroscopic measurements on indium based oxidized systems. Our findings portray characteristic features to attribute transparent semiconductive properties to amorphous In2O3. (literal)
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