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
Descripción
Sumario: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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