Oxygen polyvacancy in anatas as a filament: First principle investigation

T. V. Perevalov, D. R. Islamov

Research output: Contribution to journalConference articlepeer-review


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.

Original languageEnglish
Article number012084
Number of pages4
JournalJournal of Physics: Conference Series
Issue number1
Publication statusPublished - 15 Aug 2017


  • TIO2

Fingerprint Dive into the research topics of 'Oxygen polyvacancy in anatas as a filament: First principle investigation'. Together they form a unique fingerprint.

Cite this