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Towards Mott design by $\delta$-doping of strongly correlated titanates

Materials Science 2015-05-08 v3 Strongly Correlated Electrons

Abstract

Doping the distorted-perovskite Mott insulators LaTiO3_3 and GdTiO3_3 with a single SrO layer along the [001] direction gives rise to a rich correlated electronic structure. A realistic superlattice study by means of the charge self-consistent combination of density functional theory with dynamical mean-field theory reveals layer- and temperature-dependent multi-orbital metal-insulator transitions. An orbital-selective metallic layer at the interface dissolves via an orbital-polarized doped-Mott state into an orbital-ordered insulating regime beyond the two conducting TiO2_2 layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in δ\delta-doped GdTiO3_3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers which are coupled antiferromagnetically.

Keywords

Cite

@article{arxiv.1411.1637,
  title  = {Towards Mott design by $\delta$-doping of strongly correlated titanates},
  author = {Frank Lechermann and Michael Obermeyer},
  journal= {arXiv preprint arXiv:1411.1637},
  year   = {2015}
}

Comments

17 pages, 9 figures, final version