Journal of Physics Condensed Matter, volume 29, issue 9, pages 95501
Electronic properties of LaAlO3/SrTiO3n-type interfaces: a GGA+Ustudy
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Institute of Physics, Kazan Federal University, Kremlyovskaya St. 18, 420008 Kazan, Russia. EP VI and Center for Electronic Correlations and Magnetism, Universität Augsburg, Universitätsstraße 1, 86135 Augsburg, Germany.
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2
EP VI and Center for Electronic Correlations and Magnetism, Universität Augsburg, Universitätsstraße 1, 86135 Augsburg, Germany
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4
Materials Design SARL, 42 avenue Verdier, 92120 Montrouge, France
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Publication type: Journal Article
Publication date: 2017-01-27
Journal:
Journal of Physics Condensed Matter
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 2.7
ISSN: 09538984, 1361648X
Condensed Matter Physics
General Materials Science
Abstract
The role of electronic correlation effects for a realistic description of the electronic properties of LaAlO3/SrTiO3 heterostructures as covered by the on-site Coulomb repulsion within the GGA+U approach is investigated. Performing a systematic variation of the values of the Coulomb parameters applied to the Ti 3d and La 4f orbitals we put previous suggestions to include a large value for the La 4f states into perspective. Furthermore, our calculations provide deeper insight into the band gap landscape in the space spanned by these Coulomb parameters and the resulting complex interference effects. In addition, we identify important correlations between the local Coulomb interaction within the La 4f shell, the band gap, and the atomic displacements at the interface. In particular, these on-site Coulomb interactions influence buckling within the LaO interface layer, which via its strong coupling to the electrostatic potential in the LAO overlayer causes considerable shifts of the electronic states at the surface and eventually controls the band gap.
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Piyanzina I. I. et al. Electronic properties of LaAlO3/SrTiO3n-type interfaces: a GGA+Ustudy // Journal of Physics Condensed Matter. 2017. Vol. 29. No. 9. p. 95501.
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Piyanzina I. I., Kopp T., Lysogorskiy Yu. V., TAYURSKII D. A., Eyert V. Electronic properties of LaAlO3/SrTiO3n-type interfaces: a GGA+Ustudy // Journal of Physics Condensed Matter. 2017. Vol. 29. No. 9. p. 95501.
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TY - JOUR
DO - 10.1088/1361-648X/aa57ac
UR - https://doi.org/10.1088%2F1361-648X%2Faa57ac
TI - Electronic properties of LaAlO3/SrTiO3n-type interfaces: a GGA+Ustudy
T2 - Journal of Physics Condensed Matter
AU - Piyanzina, I. I.
AU - Kopp, T
AU - Lysogorskiy, Yu V
AU - Eyert, V.
AU - TAYURSKII, D. A.
PY - 2017
DA - 2017/01/27 00:00:00
PB - IOP Publishing
SP - 95501
IS - 9
VL - 29
SN - 0953-8984
SN - 1361-648X
ER -
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@article{2017_Piyanzina,
author = {I. I. Piyanzina and T Kopp and Yu V Lysogorskiy and V. Eyert and D. A. TAYURSKII},
title = {Electronic properties of LaAlO3/SrTiO3n-type interfaces: a GGA+Ustudy},
journal = {Journal of Physics Condensed Matter},
year = {2017},
volume = {29},
publisher = {IOP Publishing},
month = {jan},
url = {https://doi.org/10.1088%2F1361-648X%2Faa57ac},
number = {9},
pages = {95501},
doi = {10.1088/1361-648X/aa57ac}
}
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Piyanzina, I. I., et al. “Electronic properties of LaAlO3/SrTiO3n-type interfaces: a GGA+Ustudy.” Journal of Physics Condensed Matter, vol. 29, no. 9, Jan. 2017, p. 95501. https://doi.org/10.1088%2F1361-648X%2Faa57ac.
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