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Capturing Properties of Two-Fold Coordinated Nitrogen Atom in Silicon Oxynitride

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Abstract

Electronic structure of two-fold coordinated nitrogen atom ≡Si2N• in Si3N4 and SiOxNy is studied in different charged states by the semiempirical quantum-chemical method MINDO/3 taking into account an atomic relaxation. It is shown theoretically that the neutral paramagnetic defect ≡Si2N• captures an electron, therefore it is an electron trap in Si3N4 and SiOxNy. The calculations show that the capturing of hole by the ≡Si2N• defect can be energetically favorable only for large oxygen concentration in oxynitride. It is predicted that the electron localization by the ≡Si2N• defect will result in the ESR signal disappearance.

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Authors and Affiliations

  1. Institute of Computational Technologies, Novosibirsk, 630090, Russia

    Y. N. Morokov

  2. Department of Electronic Engineering, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong, China

    J. B. Xu

  3. Institute of Semiconductor of Physics, Novosibirsk, 630090, Russia

    Y. N. Novikov & V. A. Gritsenko

Authors
  1. Y. N. Novikov
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  2. Y. N. Morokov
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  3. V. A. Gritsenko
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  4. J. B. Xu
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Correspondence to Y. N. Novikov.

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Novikov, Y.N., Morokov, Y.N., Gritsenko, V.A. et al. Capturing Properties of Two-Fold Coordinated Nitrogen Atom in Silicon Oxynitride. MRS Online Proceedings Library 567, 141–145 (1999). https://doi.org/10.1557/PROC-567-141

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  • DOI: https://doi.org/10.1557/PROC-567-141

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