The Atomic and Electronic Structure of Oxygen Polyvacancies in Anatase
Full article
| Общее |
Language:
Английский,
Genre:
Full article,
Status:
Published,
Source type:
Translated
|
| Journal |
Technical Physics Letters
ISSN: 1063-7850
, E-ISSN: 1090-6533
|
| Output data |
Year: 2016,
Volume: 42,
Number: 6,
Pages: 601-604
Pages count
: 4
DOI:
10.1134/S1063785016060134
|
| Authors |
Perevalov T.V.
1,2
,
Islamov D.R.
1,2
,
Saraev A.A.
2,3
|
| Affiliations |
| 1 |
Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
|
| 2 |
Novosibirsk State University, Novosibirsk, 630090 Russia
|
| 3 |
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
|
|
Funding (1)
|
1
|
Russian Foundation for Basic Research
|
16-32-00119
|
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.