Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing.
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ABSTRACT: Cation intermixing at the n-type polar LaGaO3/SrTiO3 (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 3dxy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface.
SUBMITTER: Nazir S
PROVIDER: S-EPMC3847700 | biostudies-other | 2013
REPOSITORIES: biostudies-other
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