Oxygen vacancies in zirconium oxide as the blue luminescence centres and traps responsible for charge transport: Part I—Crystals

Damir R. Islamov, Vladimir A. Gritsenko, Timofey V. Perevalov, Alexander P. Yelisseyev, Vladimir A. Pustovarov, Ilya V. Korolkov, Elena E. Lomonova

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The origin of luminescence centres in ZrO2 crystals was studied using Raman scattering, luminescence spectroscopy and quantum-chemical calculations. The 2.7 eV luminescence band and 5.2 eV absorption/luminescence excitation band are associated with an oxygen vacancy. It was shown, that a half of the Stokes shift in blue photoluminescence spectra is equal to the trap thermal activation energy 1.25 eV. Within quantum-chemical simulations it was demonstrated that both electrons and holes can be trapped on oxygen vacancies in ZrO2. Hence, oxygen vacancies are supposed to operate as traps responsible for the blue luminescence band in ZrO2.

Original languageEnglish
Article number100979
JournalMaterialia
Volume15
DOIs
Publication statusPublished - Mar 2021

Keywords

  • Defects
  • DFT
  • Luminescence
  • Oxygen vacancy
  • Zirconium oxide

OECD FOS+WOS

  • 2.05.PM MATERIALS SCIENCE, MULTIDISCIPLINARY

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