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arXiv · 1411.1637

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

Frank Lechermann·Michael Obermeyer
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Abstract

Doping the distorted-perovskite Mott insulators LaTiO$_3$ and GdTiO$_3$ 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 TiO$_2$ layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in $\delta$-doped GdTiO$_3$ results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers which are coupled antiferromagnetically.

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Frank Lechermann, Michael Obermeyer. 2014-11-06. Towards Mott design by $\delta$-doping of strongly correlated titanates. https://doi.org/10.1088/1367-2630%2F17%2F4%2F043026

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