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Electronic structure of an oxygen vacancy in Al2O3 from the results of Ab Initio quantum-chemical calculations and photoluminescence experiments

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Abstract

The electronic structure of an oxygen vacancy in α-Al2O3 and γ-Al2O3 is calculated. The calculation predicts an absorption peak at an energy of 6.4 and 6.3 eV in α-Al2O3 and γ-Al2O3, respectively. The luminescence and luminescence excitation spectra of amorphous Al2O3 are measured using synchrotron radiation. The presence of a luminescence band at 2.9 eV and a peak at 6.2 eV in the luminescence excitation spectrum indicates the presence of oxygen vacancies in amorphous Al2O3.

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Authors and Affiliations

  1. Ural State Technical University, Yekaterinburg, 620002, Russia

    V. A. Pustovarov

  2. Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090, Russia

    V. Sh. Aliev, T. V. Perevalov & V. A. Gritsenko

  3. Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090, Russia

    A. P. Eliseev

Authors
  1. V. A. Pustovarov
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  2. V. Sh. Aliev
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  3. T. V. Perevalov
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  4. V. A. Gritsenko
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  5. A. P. Eliseev
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Correspondence to T. V. Perevalov.

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Original Russian Text © V.A. Pustovarov, V.Sh. Aliev, T.V. Perevalov, V.A. Gritsenko, A.P. Eliseev, 2010, published in Zhurnal Éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2010, Vol. 38, No. 6, pp. 1119–1126.

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Pustovarov, V.A., Aliev, V.S., Perevalov, T.V. et al. Electronic structure of an oxygen vacancy in Al2O3 from the results of Ab Initio quantum-chemical calculations and photoluminescence experiments. J. Exp. Theor. Phys. 111, 989–995 (2010). https://doi.org/10.1134/S1063776110120113

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