Аннотация
We investigate oxygen-deficient anatase using quantum-chemical simulation within the density functional theory. 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.
Язык оригинала | английский |
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Номер статьи | 012084 |
Число страниц | 4 |
Журнал | Journal of Physics: Conference Series |
Том | 864 |
Номер выпуска | 1 |
DOI | |
Состояние | Опубликовано - 15 авг 2017 |