Novel insights into the impurity-selective metal-insulator transition of paramagnetic V${}_2$O${}_3$

The phase diagram of V${}_2$O${}_3$ with temperature and concentration of different dopants (e.g. Cr and Ti), still poses a formidable problem in condensed matter physics. By means of the charge self-consistent combination of density functional theory with dynamical mean-field theory, i.e. the DFT+DMFT approach, we provide new clues to the delicate interplay between electronic and lattice degrees of freedom. The impact of the defect chemistry is highlighted beyond the sole lattice expansion/contraction affect usually associated with impurity doping in this system. Local symmetry breakings are identified as one key feature to understand the tight competition between metal and insulator in vanadium sesquioxide.