Metallizing the Mott insulator TiOCl by electron doping: a view from LDA+DMFT

L. Craco, M. S. Laad, E. Müller-Hartmann

Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean fiel…