Insulator-Metal transition in the Doped 3d1 Transition Metal Oxide LaTiO3

Abstract

The doping induced insulator-metal transition in $L{a}_{1-x}S{r}_{x}Ti{O}_3$ is studied using the ab-initio LDA+DMFT method. Combining the LDA bandstructure for the actual, distorted structure found recently with multi-orbital DMFT to treat electronic correlations, we find: $(i)$ ferro-orbital order in the Mott insulating state without orbital degeneracy, $(ii)$ a continuous filling induced transition to the paramagnetic metal (PM) with $x$, and $(iii)$ excellent quantitative agreement with published photoemission data for the case of 6% doping. Our results imply that this system can be described as a Mott-Hubbard system without orbital (liquid) degeneracy.

arXiv comment4 pages, 3 figures, submitted to PRL