The atomic and electronic structure of oxygen polyvacancies in anatase
- Authors: Perevalov T.V.1,2, Islamov D.R.1,2, Saraev A.A.2,3
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Affiliations:
- Rzhanov Institute of Semiconductor Physics, Siberian Branch
- Novosibirsk State University
- Boreskov Institute of Catalysis, Siberian Branch
- Issue: Vol 42, No 6 (2016)
- Pages: 601-604
- Section: Article
- URL: https://journals.rcsi.science/1063-7850/article/view/199515
- DOI: https://doi.org/10.1134/S1063785016060134
- ID: 199515
Cite item
Abstract
We investigate oxygen-deficient anatase using quantum-chemical simulation within the density functional theory and X-ray photoelectron spectroscopy. It is demonstrated that etching of anatase with argon ions with an energy of 2.4 keV results in the formation of oxygen vacancies and polyvacancies at a concentration of approximately 1020 cm–3 in the crystal. It was found that the most energetically favorable spatial configuration of an oxygen polyvacancy is a three-dimensional chain in crystallographic direction [100] or [010]. The ability of oxygen polyvacancy in the form of a chain to act as a conductive filament and to participate in the resistive switching is discussed.
About the authors
T. V. Perevalov
Rzhanov Institute of Semiconductor Physics, Siberian Branch; Novosibirsk State University
Author for correspondence.
Email: timson@isp.nsc.ru
Russian Federation, Novosibirsk, 630090; Novosibirsk, 630090
D. R. Islamov
Rzhanov Institute of Semiconductor Physics, Siberian Branch; Novosibirsk State University
Email: timson@isp.nsc.ru
Russian Federation, Novosibirsk, 630090; Novosibirsk, 630090
A. A. Saraev
Novosibirsk State University; Boreskov Institute of Catalysis, Siberian Branch
Email: timson@isp.nsc.ru
Russian Federation, Novosibirsk, 630090; Novosibirsk, 630090