This article is cited in 5 papers

The atomic and electronic structure of oxygen polyvacancies in anatase

T. V. Perevalov^ab, D. R. Islamov^ab, A. A. Saraev<sup>bc

a</sup> Rzhanov Institute of Semiconductor Physics, Siberian Branch of Russian Academy of Sciences, Novosibirsk
^b Novosibirsk State University
^c Boreskov Institute of Catalysis SB RAS, Novosibirsk

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 10$^{20}$ 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.

Received: 26.01.2016

 English version: Technical Physics Letters, 2016, 42:6, 601–604

Bibliographic databases:

•