Oxygen polyvacancy in anatas as a filament: First principle investigation

T. V. Perevalov, D. R. Islamov

Результат исследования: Научные публикации в периодических изданияхстатья по материалам конференции


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 оригиналаанглийский
Номер статьи012084
Число страниц4
ЖурналJournal of Physics: Conference Series
Номер выпуска1
СостояниеОпубликовано - 15 авг 2017