Comparison between experimental and theoretical determination of the local structure of the GaAs1-yNy dilute nitride alloy (Articolo in rivista)

Type
Label
  • Comparison between experimental and theoretical determination of the local structure of the GaAs1-yNy dilute nitride alloy (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.71.115210 (literal)
Alternative label
  • Gianluca Ciatto, Francesco d'Acapito, Simone Sanna and Vincenzo Fiorentini, Antonio Polimeni and Mario Capizzi Settimio Mobilio, Federico Boscherini (2005)
    Comparison between experimental and theoretical determination of the local structure of the GaAs1-yNy dilute nitride alloy
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Gianluca Ciatto, Francesco d'Acapito, Simone Sanna and Vincenzo Fiorentini, Antonio Polimeni and Mario Capizzi Settimio Mobilio, Federico Boscherini (literal)
Pagina inizio
  • 115210 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 71 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR c/o ESRF-Gilda CRG, 6 rue J. Horowitz, Boîte Postale 220, 38043 Grenoble, France INFM c/o ESRF-Gilda CRG, 6 rue J. Horowitz, Boîte Postale 220, 38043 Grenoble, France SLACS, Sardinian Laboratory for Computational Materials Science, and Department of Physics, University of Cagliari, Cittadella Universitaria, 09042 Monserrato-Cagliari, Italy INFM and Department of Physics, University of Roma \"La Sapienza,\" Piazzale A. Moro 2, 00185 Roma, Italy Department of Physics, University of Roma III, Via della Vasca Navale 84, 00146 Roma, Italy INFM and Department of Physics, University of Bologna, Viale C. Berti Pichat 6/2, 40127 Bologna, Italy (literal)
Titolo
  • Comparison between experimental and theoretical determination of the local structure of the GaAs1-yNy dilute nitride alloy (literal)
Abstract
  • We present a combined experimental and theoretical study of the local structure of the GaAs1-yNy dilute nitride alloy. Experimental results obtained by x-ray absorption spectroscopy have been compared with first-principles density-functional supercell calculations and with the predictions of three different valence force field models. Both experiments and calculations find that inclusion of N induces static disorder in the Ga-As bond length distribution. An increase of the Ga-As bond length upon N incorporation in gallium arsenide has been observed; this is due to the competing effects of the decrease of the free lattice parameter and the tensile strain due to pseudomorphic growth. The different theoretical calculations reproduce more or less accurately this bond length expansion; we discuss the performance of the different valence force field models in predict-ing the measured bond lengths. (literal)
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