The atomic and electronic structure of oxygen polyvacancies in anatase
- Autores: Perevalov T.1,2, Islamov D.1,2, Saraev A.2,3
-
Afiliações:
- Rzhanov Institute of Semiconductor Physics, Siberian Branch
- Novosibirsk State University
- Boreskov Institute of Catalysis, Siberian Branch
- Edição: Volume 42, Nº 6 (2016)
- Páginas: 601-604
- Seção: Article
- URL: https://journals.rcsi.science/1063-7850/article/view/199515
- DOI: https://doi.org/10.1134/S1063785016060134
- ID: 199515
Citar
Resumo
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.
Sobre autores
T. Perevalov
Rzhanov Institute of Semiconductor Physics, Siberian Branch; Novosibirsk State University
Autor responsável pela correspondência
Email: timson@isp.nsc.ru
Rússia, Novosibirsk, 630090; Novosibirsk, 630090
D. Islamov
Rzhanov Institute of Semiconductor Physics, Siberian Branch; Novosibirsk State University
Email: timson@isp.nsc.ru
Rússia, Novosibirsk, 630090; Novosibirsk, 630090
A. Saraev
Novosibirsk State University; Boreskov Institute of Catalysis, Siberian Branch
Email: timson@isp.nsc.ru
Rússia, Novosibirsk, 630090; Novosibirsk, 630090