Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO${}_2$

Frank Lechermann, Wolfgang Heckel, Oleg Kristanovski +1

Oxygen-deficient TiO${}_2$ in the rutile structure as well as the Ti${}_3$O${}_5$ Magn{é}li phase is investigated within the charge self-consistent combination of density functional theo…