Towards Mott design by δ-doping of strongly correlated titanates
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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2015-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/17/4/043026 |
| _version_ | 1797751212905332736 |
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| author | Frank Lechermann Michael Obermeyer |
| author_facet | Frank Lechermann Michael Obermeyer |
| author_sort | Frank Lechermann |
| collection | DOAJ |
| description | 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 δ -doped GdTiO _3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers that are coupled antiferromagnetically. |
| first_indexed | 2024-03-12T16:45:15Z |
| format | Article |
| id | doaj.art-1dfa64a5337743fc9395df0836a35106 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:45:15Z |
| publishDate | 2015-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-1dfa64a5337743fc9395df0836a351062023-08-08T14:15:37ZengIOP PublishingNew Journal of Physics1367-26302015-01-0117404302610.1088/1367-2630/17/4/043026Towards Mott design by δ-doping of strongly correlated titanatesFrank Lechermann0Michael Obermeyer1I. Institut für Theoretische Physik, Universität Hamburg, D-20355 Hamburg, GermanyI. Institut für Theoretische Physik, Universität Hamburg, D-20355 Hamburg, GermanyDoping 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 δ -doped GdTiO _3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers that are coupled antiferromagnetically.https://doi.org/10.1088/1367-2630/17/4/043026oxide heterostructuresdynamical mean-field theorydensity functional theoryMott transitionstrong correlationdoping |
| spellingShingle | Frank Lechermann Michael Obermeyer Towards Mott design by δ-doping of strongly correlated titanates New Journal of Physics oxide heterostructures dynamical mean-field theory density functional theory Mott transition strong correlation doping |
| title | Towards Mott design by δ-doping of strongly correlated titanates |
| title_full | Towards Mott design by δ-doping of strongly correlated titanates |
| title_fullStr | Towards Mott design by δ-doping of strongly correlated titanates |
| title_full_unstemmed | Towards Mott design by δ-doping of strongly correlated titanates |
| title_short | Towards Mott design by δ-doping of strongly correlated titanates |
| title_sort | towards mott design by δ doping of strongly correlated titanates |
| topic | oxide heterostructures dynamical mean-field theory density functional theory Mott transition strong correlation doping |
| url | https://doi.org/10.1088/1367-2630/17/4/043026 |
| work_keys_str_mv | AT franklechermann towardsmottdesignbyddopingofstronglycorrelatedtitanates AT michaelobermeyer towardsmottdesignbyddopingofstronglycorrelatedtitanates |