Research output: Contribution to journal › Article › peer-review
Oxygen vacancies in zirconium oxide as the blue luminescence centres and traps responsible for charge transport : Part I—Crystals. / Islamov, Damir R.; Gritsenko, Vladimir A.; Perevalov, Timofey V. et al.
In: Materialia, Vol. 15, 100979, 03.2021.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Oxygen vacancies in zirconium oxide as the blue luminescence centres and traps responsible for charge transport
T2 - Part I—Crystals
AU - Islamov, Damir R.
AU - Gritsenko, Vladimir A.
AU - Perevalov, Timofey V.
AU - Yelisseyev, Alexander P.
AU - Pustovarov, Vladimir A.
AU - Korolkov, Ilya V.
AU - Lomonova, Elena E.
N1 - Funding Information: This work was partly supported by the Russian Science Foundation under grant No. 16-19-00002 (PL with PLE measurements, quantum chemical simulations), and partly supported by the ISP SB RAS state research program, project No. 0306-2019-0005 (Raman, TSL and XRL spectroscopy). The simulations were performed using computing clusters of the Rzhanov Institute of Semiconductor Physics SB RAS and Novosibirsk State University. Publisher Copyright: © 2020 Acta Materialia Inc. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2021/3
Y1 - 2021/3
N2 - 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.
AB - 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.
KW - Defects
KW - DFT
KW - Luminescence
KW - Oxygen vacancy
KW - Zirconium oxide
UR - http://www.scopus.com/inward/record.url?scp=85097716042&partnerID=8YFLogxK
U2 - 10.1016/j.mtla.2020.100979
DO - 10.1016/j.mtla.2020.100979
M3 - Article
AN - SCOPUS:85097716042
VL - 15
JO - Materialia
JF - Materialia
SN - 2589-1529
M1 - 100979
ER -
ID: 27082274