Abstract

We have calculated the energy levels of oxygen vacancies in LaGeOx and HfGeOx using a density functional method which does not need a band gap correction. The defect energy levels are aligned to the band gap of Ge by the calculated band offsets. The defect configurations have more complex bonding than those of simple binary oxides. The defect levels of metal germanates lie deeper in the band gap than the equivalent binary metal oxides, so that there should be less charge trapping in the germanates. The defect levels of HfGeOx are found to be deeper and the defect orbitals are more localized than those in HfSiOx.

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