The doping induced insulator-metal transition in La1−xSrxTiO3 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.
@article{arxiv.cond-mat/0309370,
title = {Insulator-Metal transition in the Doped 3d1 Transition Metal Oxide LaTiO3},
author = {L. Craco and M. S. Laad and S. Leoni and E. Müller-Hartmann},
journal= {arXiv preprint arXiv:cond-mat/0309370},
year = {2016}
}