Electronic Structure of an Oxygen Vacancy in Al2O3 from the Results of Ab Initio Quantum-Chemical Calculations and Photoluminescence Experiments

Abstract

The electronic structure of an oxygen vacancy in α-Al 2O3 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. © 2010 Pleiades Publishing, Ltd.