Origin of magnetism and quasiparticles properties in Cr-doped TiO${}_2$

F. Da Pieve, S. Di Matteo, T. Rangel +4

Combining LSDA+$U$ and an analysis of superexchange interactions beyond DFT, we describe the magnetic ground states in rutile and anatase Cr-doped TiO${}_2$. In parallel, we correct…