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Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses

We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO(3))(n)/(SrTiO(3))(m) (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to...

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Detalles Bibliográficos
Autores principales: Jilili, J., Cossu, F., Schwingenschlögl, U.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555181/
https://www.ncbi.nlm.nih.gov/pubmed/26323361
http://dx.doi.org/10.1038/srep13762
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author Jilili, J.
Cossu, F.
Schwingenschlögl, U.
author_facet Jilili, J.
Cossu, F.
Schwingenschlögl, U.
author_sort Jilili, J.
collection PubMed
description We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO(3))(n)/(SrTiO(3))(m) (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO(3), strongly distorted O octahedra are observed in the SrTiO(3) layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO(3) and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO(3) and SrTiO(3) layer thicknesses originates from modifications of the Ti d(xy) states.
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spelling pubmed-45551812015-09-11 Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses Jilili, J. Cossu, F. Schwingenschlögl, U. Sci Rep Article We investigate the thickness dependence of the structural, electronic, and magnetic properties of (LaMnO(3))(n)/(SrTiO(3))(m) (n, m = 2, 4, 6, 8) superlattices using density functional theory. The electronic structure turns out to be highly sensitive to the onsite Coulomb interaction. In contrast to bulk SrTiO(3), strongly distorted O octahedra are observed in the SrTiO(3) layers with a systematic off centering of the Ti atoms. The systems favour ferromagnetic spin ordering rather than the antiferromagnetic spin ordering of bulk LaMnO(3) and all show half-metallicity, while a systematic reduction of the minority spin band gaps as a function of the LaMnO(3) and SrTiO(3) layer thicknesses originates from modifications of the Ti d(xy) states. Nature Publishing Group 2015-09-01 /pmc/articles/PMC4555181/ /pubmed/26323361 http://dx.doi.org/10.1038/srep13762 Text en Copyright © 2015, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Jilili, J.
Cossu, F.
Schwingenschlögl, U.
Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses
title Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses
title_full Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses
title_fullStr Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses
title_full_unstemmed Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses
title_short Trends in (LaMnO(3))(n)/(SrTiO(3))(m) superlattices with varying layer thicknesses
title_sort trends in (lamno(3))(n)/(srtio(3))(m) superlattices with varying layer thicknesses
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555181/
https://www.ncbi.nlm.nih.gov/pubmed/26323361
http://dx.doi.org/10.1038/srep13762
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