Quasiparticle electronic structure of charged oxygen vacancies in TiO2

Ali Kazempour, Seyed Javad Hashemifar, Hadi Akbarzadeh

We studied the oxygen vacancies($V_O$) in rutile TiO2 by using $G_0{W}_0$ approximation on top of GGA+$U$ as a method of choice to improve the gap. Since there is no extensive agre…