The electronic and magnetic structure of p-element (C,N) doped rutile-TiO${}_2$; A hybrid DFT study

Jacqueline Atanelov, Christoph Gruber, Peter Mohn

We study the electronic and magnetic structure of carbon and nitrogen impurities and interstitials in rutile TiO${}_2$. To this end we perform \textit{ab-initio} calculations of a…