Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing

Cation intermixing at the n-type polar LaGaO(3)/SrTiO(3) (001) interface is investigated by first principles calculations. Ti⇔Ga, Sr⇔La, and SrTi⇔LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetica...

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Detalles Bibliográficos
Autores principales: Nazir, S., Amin, B., Schwingenschlögl, U.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3847700/
https://www.ncbi.nlm.nih.gov/pubmed/24296477
http://dx.doi.org/10.1038/srep03409
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author Nazir, S.
Amin, B.
Schwingenschlögl, U.
author_facet Nazir, S.
Amin, B.
Schwingenschlögl, U.
author_sort Nazir, S.
collection PubMed
description Cation intermixing at the n-type polar LaGaO(3)/SrTiO(3) (001) interface is investigated by first principles calculations. Ti⇔Ga, Sr⇔La, and SrTi⇔LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d(xy) orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.
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spelling pubmed-38477002013-12-03 Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing Nazir, S. Amin, B. Schwingenschlögl, U. Sci Rep Article Cation intermixing at the n-type polar LaGaO(3)/SrTiO(3) (001) interface is investigated by first principles calculations. Ti⇔Ga, Sr⇔La, and SrTi⇔LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3d(xy) orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface. Nature Publishing Group 2013-12-03 /pmc/articles/PMC3847700/ /pubmed/24296477 http://dx.doi.org/10.1038/srep03409 Text en Copyright © 2013, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/3.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
spellingShingle Article
Nazir, S.
Amin, B.
Schwingenschlögl, U.
Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing
title Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing
title_full Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing
title_fullStr Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing
title_full_unstemmed Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing
title_short Suppression of the two-dimensional electron gas in LaGaO(3)/SrTiO(3) by cation intermixing
title_sort suppression of the two-dimensional electron gas in lagao(3)/srtio(3) by cation intermixing
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3847700/
https://www.ncbi.nlm.nih.gov/pubmed/24296477
http://dx.doi.org/10.1038/srep03409
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